NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635281 | 5z31 | 36149 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 2.792 2.418 -0.956 2 HA LYS 1 HA LYS 1 4.114 1.168 -2.395 3 HB2 LYS 1 2HB LYS 1 4.763 -0.937 -1.319 4 HB3 LYS 1 3HB LYS 1 4.623 0.363 -0.143 5 HG2 LYS 1 2HG LYS 1 2.124 -0.706 -0.066 6 HG3 LYS 1 3HG LYS 1 3.115 -2.131 -0.383 7 HD2 LYS 1 2HD LYS 1 4.584 -0.962 1.545 8 HD3 LYS 1 3HD LYS 1 2.975 -0.404 2.010 9 HE2 LYS 1 2HE LYS 1 2.222 -2.799 1.864 10 HE3 LYS 1 3HE LYS 1 3.916 -3.246 1.671 11 HZ1 LYS 1 1HZ LYS 1 4.057 -3.260 3.868 12 HZ2 LYS 1 2HZ LYS 1 2.495 -2.636 4.043 13 HZ3 LYS 1 3HZ LYS 1 3.810 -1.586 3.874 14 H ASN 2 H ASN 2 4.353 -0.931 -3.632 15 HA ASN 2 HA ASN 2 1.722 -1.700 -4.705 16 HB2 ASN 2 2HB ASN 2 4.444 -1.617 -6.017 17 HB3 ASN 2 3HB ASN 2 3.023 -2.336 -6.768 18 HD21 ASN 2 1HD2 ASN 2 4.852 0.253 -6.930 19 HD22 ASN 2 2HD2 ASN 2 3.691 1.468 -7.329 20 H LYS 3 H LYS 3 1.094 -3.581 -3.868 21 HA LYS 3 HA LYS 3 3.000 -5.590 -3.050 22 HB2 LYS 3 2HB LYS 3 -0.023 -5.675 -3.098 23 HB3 LYS 3 3HB LYS 3 1.024 -6.851 -2.316 24 HG2 LYS 3 2HG LYS 3 1.911 -4.673 -1.087 25 HG3 LYS 3 3HG LYS 3 0.285 -4.109 -1.477 26 HD2 LYS 3 2HD LYS 3 0.569 -6.819 -0.291 27 HD3 LYS 3 3HD LYS 3 0.820 -5.426 0.765 28 HE2 LYS 3 2HE LYS 3 -1.365 -4.990 0.847 29 HE3 LYS 3 3HE LYS 3 -1.525 -5.105 -0.905 30 HZ1 LYS 3 1HZ LYS 3 -1.693 -7.496 -0.711 31 HZ2 LYS 3 2HZ LYS 3 -2.876 -6.757 0.244 32 HZ3 LYS 3 3HZ LYS 3 -1.494 -7.411 0.967 33 H SER 4 H SER 4 0.488 -5.265 -5.532 34 HA SER 4 HA SER 4 1.695 -7.565 -6.926 35 HB2 SER 4 2HB SER 4 -1.210 -6.753 -6.735 36 HB3 SER 4 3HB SER 4 -0.611 -7.910 -7.924 37 HG SER 4 HG SER 4 -0.784 -8.146 -5.133 38 H ARG 5 H ARG 5 0.605 -4.300 -7.081 39 HA ARG 5 HA ARG 5 0.245 -3.916 -9.806 40 HB2 ARG 5 2HB ARG 5 1.172 -2.142 -7.578 41 HB3 ARG 5 3HB ARG 5 1.215 -1.549 -9.233 42 HG2 ARG 5 2HG ARG 5 -1.309 -2.786 -8.307 43 HG3 ARG 5 3HG ARG 5 -0.881 -1.209 -7.640 44 HD2 ARG 5 2HD ARG 5 -0.385 -1.075 -10.407 45 HD3 ARG 5 3HD ARG 5 -1.952 -1.860 -10.217 46 HE ARG 5 HE ARG 5 -1.348 0.883 -9.748 47 HH11 ARG 5 1HH1 ARG 5 -3.352 -1.756 -8.679 48 HH12 ARG 5 2HH1 ARG 5 -4.615 -0.729 -8.087 49 HH21 ARG 5 1HH2 ARG 5 -3.004 2.246 -8.972 50 HH22 ARG 5 2HH2 ARG 5 -4.417 1.548 -8.255 51 H VAL 6 H VAL 6 3.156 -4.433 -7.997 52 HA VAL 6 HA VAL 6 5.014 -3.371 -9.843 53 HB VAL 6 HB VAL 6 5.528 -5.684 -7.977 54 HG11 VAL 6 1HG1 VAL 6 7.342 -5.308 -9.482 55 HG12 VAL 6 2HG1 VAL 6 7.288 -3.566 -9.201 56 HG13 VAL 6 3HG1 VAL 6 7.806 -4.654 -7.912 57 HG21 VAL 6 1HG2 VAL 6 5.491 -2.729 -7.384 58 HG22 VAL 6 2HG2 VAL 6 4.470 -3.974 -6.665 59 HG23 VAL 6 3HG2 VAL 6 6.200 -3.947 -6.324 60 H ALA 7 H ALA 7 2.991 -6.063 -10.033 61 HA ALA 7 HA ALA 7 4.446 -8.016 -11.318 62 HB1 ALA 7 1HB ALA 7 2.379 -8.777 -12.287 63 HB2 ALA 7 2HB ALA 7 2.068 -8.202 -10.648 64 HB3 ALA 7 3HB ALA 7 1.633 -7.199 -12.032 65 H ARG 8 H ARG 8 3.565 -4.885 -12.474 66 HA ARG 8 HA ARG 8 3.514 -5.151 -15.202 67 HB2 ARG 8 2HB ARG 8 5.018 -2.936 -13.813 68 HB3 ARG 8 3HB ARG 8 4.172 -2.865 -15.353 69 HG2 ARG 8 2HG ARG 8 2.294 -3.654 -13.393 70 HG3 ARG 8 3HG ARG 8 3.196 -2.279 -12.751 71 HD2 ARG 8 2HD ARG 8 2.201 -2.176 -15.559 72 HD3 ARG 8 3HD ARG 8 1.059 -1.924 -14.240 73 HE ARG 8 HE ARG 8 3.137 -0.130 -15.106 74 HH11 ARG 8 1HH1 ARG 8 1.046 -1.060 -12.483 75 HH12 ARG 8 2HH1 ARG 8 1.118 0.487 -11.704 76 HH21 ARG 8 1HH2 ARG 8 3.241 1.910 -14.091 77 HH22 ARG 8 2HH2 ARG 8 2.366 2.175 -12.620 78 H GLY 9 H GLY 9 6.212 -5.560 -13.065 79 HA2 GLY 9 2HA GLY 9 8.410 -5.108 -14.636 80 HA3 GLY 9 3HA GLY 9 8.308 -6.420 -13.470 81 H TRP 10 H TRP 10 6.425 -8.057 -14.615 82 HA TRP 10 HA TRP 10 7.604 -8.738 -17.227 83 HB2 TRP 10 2HB TRP 10 7.169 -11.172 -16.506 84 HB3 TRP 10 3HB TRP 10 8.554 -10.342 -15.801 85 HD1 TRP 10 HD1 TRP 10 5.534 -12.263 -14.850 86 HE1 TRP 10 HE1 TRP 10 5.179 -12.176 -12.302 87 HE3 TRP 10 HE3 TRP 10 8.829 -8.528 -13.699 88 HZ2 TRP 10 HZ2 TRP 10 6.166 -10.716 -10.097 89 HZ3 TRP 10 HZ3 TRP 10 9.064 -7.845 -11.347 90 HH2 TRP 10 HH2 TRP 10 7.758 -8.917 -9.585 91 H GLY 11 H GLY 11 5.579 -11.164 -16.508 92 HA2 GLY 11 2HA GLY 11 3.203 -9.765 -17.566 93 HA3 GLY 11 3HA GLY 11 3.746 -11.291 -18.248 94 H ARG 12 H ARG 12 2.532 -12.936 -17.627 95 HA ARG 12 HA ARG 12 1.544 -12.978 -14.852 96 HB2 ARG 12 2HB ARG 12 -0.400 -14.349 -15.904 97 HB3 ARG 12 3HB ARG 12 -0.424 -12.595 -16.020 98 HG2 ARG 12 2HG ARG 12 0.231 -12.635 -18.285 99 HG3 ARG 12 3HG ARG 12 0.671 -14.342 -18.202 100 HD2 ARG 12 2HD ARG 12 -1.444 -14.080 -19.355 101 HD3 ARG 12 3HD ARG 12 -1.688 -14.915 -17.821 102 HE ARG 12 HE ARG 12 -2.959 -13.150 -17.100 103 HH11 ARG 12 1HH1 ARG 12 -1.182 -12.202 -19.939 104 HH12 ARG 12 2HH1 ARG 12 -2.014 -10.693 -20.115 105 HH21 ARG 12 1HH2 ARG 12 -4.063 -11.166 -17.321 106 HH22 ARG 12 2HH2 ARG 12 -3.652 -10.104 -18.625 107 H LYS 13 H LYS 13 2.753 -14.769 -17.604 108 HA LYS 13 HA LYS 13 2.471 -17.380 -16.797 109 HB2 LYS 13 2HB LYS 13 4.832 -17.628 -17.937 110 HB3 LYS 13 3HB LYS 13 3.412 -17.213 -18.888 111 HG2 LYS 13 2HG LYS 13 4.033 -14.914 -18.953 112 HG3 LYS 13 3HG LYS 13 5.329 -15.175 -17.783 113 HD2 LYS 13 2HD LYS 13 6.694 -15.460 -19.523 114 HD3 LYS 13 3HD LYS 13 5.861 -16.987 -19.821 115 HE2 LYS 13 2HE LYS 13 4.195 -15.078 -20.942 116 HE3 LYS 13 3HE LYS 13 5.817 -14.512 -21.339 117 HZ1 LYS 13 1HZ LYS 13 5.809 -17.236 -21.808 118 HZ2 LYS 13 2HZ LYS 13 5.836 -16.000 -22.961 119 HZ3 LYS 13 3HZ LYS 13 4.360 -16.660 -22.464 120 H CYS 14 H CYS 14 4.512 -14.926 -15.457 121 HA CYS 14 HA CYS 14 6.180 -16.779 -13.997 122 HB2 CYS 14 2HB CYS 14 6.376 -14.082 -14.752 123 HB3 CYS 14 3HB CYS 14 6.273 -14.069 -12.995 124 HG CYS 14 HG CYS 14 8.971 -13.971 -13.843 125 HA PRO 15 HA PRO 15 3.418 -17.244 -10.579 126 HB2 PRO 15 2HB PRO 15 5.196 -18.311 -8.827 127 HB3 PRO 15 3HB PRO 15 4.511 -19.224 -10.176 128 HG2 PRO 15 2HG PRO 15 7.170 -17.866 -9.965 129 HG3 PRO 15 3HG PRO 15 6.778 -19.459 -10.638 130 HD2 PRO 15 2HD PRO 15 7.185 -17.281 -12.193 131 HD3 PRO 15 3HD PRO 15 6.055 -18.575 -12.640 132 H LEU 16 H LEU 16 6.552 -15.656 -10.201 133 HA LEU 16 HA LEU 16 6.593 -14.618 -7.747 134 HB2 LEU 16 2HB LEU 16 6.883 -12.513 -9.778 135 HB3 LEU 16 3HB LEU 16 8.005 -13.047 -8.528 136 HG LEU 16 HG LEU 16 7.540 -14.486 -11.139 137 HD11 LEU 16 1HD1 LEU 16 8.771 -12.875 -12.056 138 HD12 LEU 16 2HD1 LEU 16 10.120 -13.499 -11.108 139 HD13 LEU 16 3HD1 LEU 16 9.150 -12.164 -10.487 140 HD21 LEU 16 1HD2 LEU 16 9.937 -15.305 -10.263 141 HD22 LEU 16 2HD2 LEU 16 8.431 -16.139 -9.880 142 HD23 LEU 16 3HD2 LEU 16 9.141 -15.021 -8.715 143 H PHE 17 H PHE 17 4.708 -13.104 -10.370 144 HA PHE 17 HA PHE 17 2.895 -12.033 -8.313 145 HB2 PHE 17 2HB PHE 17 4.189 -10.626 -10.619 146 HB3 PHE 17 3HB PHE 17 2.600 -10.105 -10.069 147 HD1 PHE 17 HD1 PHE 17 2.760 -8.177 -8.845 148 HD2 PHE 17 HD2 PHE 17 5.699 -11.207 -8.305 149 HE1 PHE 17 HE1 PHE 17 3.814 -6.834 -7.073 150 HE2 PHE 17 HE2 PHE 17 6.757 -9.871 -6.531 151 HZ PHE 17 HZ PHE 17 5.814 -7.681 -5.912 152 H GLY 18 H GLY 18 2.982 -14.338 -10.389 153 HA2 GLY 18 2HA GLY 18 1.510 -15.395 -11.805 154 HA3 GLY 18 3HA GLY 18 0.277 -14.636 -10.810 Start of MODEL 2 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 2.040 0.989 -1.666 3 HB2 LYS 1 2HB LYS 1 4.088 -0.408 -1.900 4 HB3 LYS 1 3HB LYS 1 3.994 0.449 -0.366 5 HG2 LYS 1 2HG LYS 1 3.013 -1.717 0.575 6 HG3 LYS 1 3HG LYS 1 3.605 -2.473 -0.907 7 HD2 LYS 1 2HD LYS 1 5.486 -0.765 0.637 8 HD3 LYS 1 3HD LYS 1 5.081 -2.353 1.293 9 HE2 LYS 1 2HE LYS 1 6.172 -3.459 -0.356 10 HE3 LYS 1 3HE LYS 1 5.763 -2.257 -1.579 11 HZ1 LYS 1 1HZ LYS 1 7.530 -1.196 0.388 12 HZ2 LYS 1 2HZ LYS 1 7.707 -1.254 -1.294 13 HZ3 LYS 1 3HZ LYS 1 8.190 -2.570 -0.347 14 H ASN 2 H ASN 2 2.843 -0.439 -3.622 15 HA ASN 2 HA ASN 2 0.563 -1.801 -4.596 16 HB2 ASN 2 2HB ASN 2 3.391 -1.632 -5.652 17 HB3 ASN 2 3HB ASN 2 2.063 -2.386 -6.529 18 HD21 ASN 2 1HD2 ASN 2 2.695 -0.744 -8.129 19 HD22 ASN 2 2HD2 ASN 2 1.985 0.827 -8.011 20 H LYS 3 H LYS 3 -0.068 -3.699 -3.798 21 HA LYS 3 HA LYS 3 1.852 -5.642 -2.838 22 HB2 LYS 3 2HB LYS 3 -1.162 -5.801 -3.024 23 HB3 LYS 3 3HB LYS 3 -0.125 -6.947 -2.184 24 HG2 LYS 3 2HG LYS 3 -0.135 -4.041 -1.457 25 HG3 LYS 3 3HG LYS 3 -1.335 -5.160 -0.806 26 HD2 LYS 3 2HD LYS 3 0.166 -5.585 0.798 27 HD3 LYS 3 3HD LYS 3 1.034 -6.508 -0.431 28 HE2 LYS 3 2HE LYS 3 2.221 -4.376 -1.040 29 HE3 LYS 3 3HE LYS 3 1.486 -3.644 0.386 30 HZ1 LYS 3 1HZ LYS 3 2.956 -6.157 0.713 31 HZ2 LYS 3 2HZ LYS 3 2.771 -4.869 1.793 32 HZ3 LYS 3 3HZ LYS 3 3.846 -4.735 0.494 33 H SER 4 H SER 4 -0.552 -5.403 -5.434 34 HA SER 4 HA SER 4 0.768 -7.690 -6.744 35 HB2 SER 4 2HB SER 4 -2.153 -6.930 -6.679 36 HB3 SER 4 3HB SER 4 -1.491 -8.052 -7.868 37 HG SER 4 HG SER 4 -1.840 -9.473 -6.357 38 H ARG 5 H ARG 5 -0.441 -4.459 -7.015 39 HA ARG 5 HA ARG 5 -0.624 -4.119 -9.758 40 HB2 ARG 5 2HB ARG 5 -0.865 -2.477 -7.608 41 HB3 ARG 5 3HB ARG 5 0.649 -1.898 -8.290 42 HG2 ARG 5 2HG ARG 5 -0.361 -0.952 -10.054 43 HG3 ARG 5 3HG ARG 5 -1.506 -2.282 -10.240 44 HD2 ARG 5 2HD ARG 5 -1.846 -0.576 -7.852 45 HD3 ARG 5 3HD ARG 5 -2.205 0.174 -9.407 46 HE ARG 5 HE ARG 5 -3.776 -1.771 -8.048 47 HH11 ARG 5 1HH1 ARG 5 -2.823 -0.677 -11.213 48 HH12 ARG 5 2HH1 ARG 5 -4.255 -1.266 -11.991 49 HH21 ARG 5 1HH2 ARG 5 -5.665 -2.551 -9.061 50 HH22 ARG 5 2HH2 ARG 5 -5.871 -2.331 -10.766 51 H VAL 6 H VAL 6 2.183 -4.497 -7.756 52 HA VAL 6 HA VAL 6 4.134 -3.378 -9.438 53 HB VAL 6 HB VAL 6 4.578 -5.769 -7.656 54 HG11 VAL 6 1HG1 VAL 6 6.365 -3.504 -8.535 55 HG12 VAL 6 2HG1 VAL 6 6.815 -4.769 -7.391 56 HG13 VAL 6 3HG1 VAL 6 6.457 -5.182 -9.068 57 HG21 VAL 6 1HG2 VAL 6 4.314 -2.861 -6.926 58 HG22 VAL 6 2HG2 VAL 6 3.404 -4.229 -6.285 59 HG23 VAL 6 3HG2 VAL 6 5.113 -4.047 -5.893 60 H ALA 7 H ALA 7 2.237 -6.183 -9.791 61 HA ALA 7 HA ALA 7 3.842 -7.985 -11.112 62 HB1 ALA 7 1HB ALA 7 1.899 -8.949 -11.981 63 HB2 ALA 7 2HB ALA 7 1.364 -8.161 -10.496 64 HB3 ALA 7 3HB ALA 7 1.056 -7.402 -12.057 65 H ARG 8 H ARG 8 2.781 -4.877 -12.177 66 HA ARG 8 HA ARG 8 2.819 -5.050 -14.916 67 HB2 ARG 8 2HB ARG 8 3.768 -2.670 -14.822 68 HB3 ARG 8 3HB ARG 8 2.236 -2.966 -14.010 69 HG2 ARG 8 2HG ARG 8 3.061 -2.310 -12.062 70 HG3 ARG 8 3HG ARG 8 4.442 -3.399 -12.212 71 HD2 ARG 8 2HD ARG 8 5.274 -1.575 -13.914 72 HD3 ARG 8 3HD ARG 8 4.176 -0.538 -13.004 73 HE ARG 8 HE ARG 8 5.825 -1.953 -11.217 74 HH11 ARG 8 1HH1 ARG 8 5.969 0.609 -13.570 75 HH12 ARG 8 2HH1 ARG 8 7.294 1.417 -12.801 76 HH21 ARG 8 1HH2 ARG 8 7.570 -0.897 -10.195 77 HH22 ARG 8 2HH2 ARG 8 8.205 0.559 -10.882 78 H GLY 9 H GLY 9 5.472 -5.360 -12.715 79 HA2 GLY 9 2HA GLY 9 7.675 -4.679 -14.206 80 HA3 GLY 9 3HA GLY 9 7.643 -6.027 -13.080 81 H TRP 10 H TRP 10 5.915 -7.764 -14.327 82 HA TRP 10 HA TRP 10 7.222 -8.283 -16.915 83 HB2 TRP 10 2HB TRP 10 6.933 -10.762 -16.274 84 HB3 TRP 10 3HB TRP 10 8.235 -9.860 -15.502 85 HD1 TRP 10 HD1 TRP 10 5.330 -12.013 -14.703 86 HE1 TRP 10 HE1 TRP 10 4.888 -12.021 -12.168 87 HE3 TRP 10 HE3 TRP 10 8.310 -8.087 -13.346 88 HZ2 TRP 10 HZ2 TRP 10 5.695 -10.557 -9.893 89 HZ3 TRP 10 HZ3 TRP 10 8.418 -7.454 -10.971 90 HH2 TRP 10 HH2 TRP 10 7.137 -8.665 -9.282 91 H GLY 11 H GLY 11 5.351 -10.864 -16.338 92 HA2 GLY 11 2HA GLY 11 2.914 -9.602 -17.429 93 HA3 GLY 11 3HA GLY 11 3.590 -11.055 -18.149 94 H ARG 12 H ARG 12 2.488 -12.811 -17.630 95 HA ARG 12 HA ARG 12 1.410 -13.030 -14.897 96 HB2 ARG 12 2HB ARG 12 -0.374 -14.518 -16.071 97 HB3 ARG 12 3HB ARG 12 -0.538 -12.768 -16.126 98 HG2 ARG 12 2HG ARG 12 0.986 -13.946 -18.342 99 HG3 ARG 12 3HG ARG 12 -0.721 -14.390 -18.275 100 HD2 ARG 12 2HD ARG 12 -1.047 -11.813 -17.897 101 HD3 ARG 12 3HD ARG 12 0.538 -11.714 -18.663 102 HE ARG 12 HE ARG 12 -0.423 -12.292 -20.666 103 HH11 ARG 12 1HH1 ARG 12 -2.679 -12.880 -18.081 104 HH12 ARG 12 2HH1 ARG 12 -4.014 -13.189 -19.141 105 HH21 ARG 12 1HH2 ARG 12 -2.172 -12.697 -22.072 106 HH22 ARG 12 2HH2 ARG 12 -3.724 -13.086 -21.411 107 H LYS 13 H LYS 13 2.870 -14.619 -17.649 108 HA LYS 13 HA LYS 13 2.769 -17.272 -16.948 109 HB2 LYS 13 2HB LYS 13 5.191 -17.289 -17.979 110 HB3 LYS 13 3HB LYS 13 3.790 -16.943 -18.984 111 HG2 LYS 13 2HG LYS 13 4.233 -14.604 -18.930 112 HG3 LYS 13 3HG LYS 13 5.487 -14.814 -17.706 113 HD2 LYS 13 2HD LYS 13 6.902 -14.813 -19.448 114 HD3 LYS 13 3HD LYS 13 6.358 -16.475 -19.688 115 HE2 LYS 13 2HE LYS 13 4.459 -14.770 -20.912 116 HE3 LYS 13 3HE LYS 13 6.058 -14.221 -21.411 117 HZ1 LYS 13 1HZ LYS 13 5.026 -16.996 -21.649 118 HZ2 LYS 13 2HZ LYS 13 6.566 -16.479 -22.118 119 HZ3 LYS 13 3HZ LYS 13 5.197 -15.892 -22.919 120 H CYS 14 H CYS 14 4.550 -14.717 -15.430 121 HA CYS 14 HA CYS 14 6.279 -16.496 -13.946 122 HB2 CYS 14 2HB CYS 14 6.327 -13.773 -14.619 123 HB3 CYS 14 3HB CYS 14 6.127 -13.814 -12.872 124 HG CYS 14 HG CYS 14 8.845 -13.504 -13.478 125 HA PRO 15 HA PRO 15 3.415 -17.258 -10.672 126 HB2 PRO 15 2HB PRO 15 5.189 -18.221 -8.856 127 HB3 PRO 15 3HB PRO 15 4.646 -19.153 -10.256 128 HG2 PRO 15 2HG PRO 15 7.172 -17.590 -9.886 129 HG3 PRO 15 3HG PRO 15 6.944 -19.193 -10.610 130 HD2 PRO 15 2HD PRO 15 7.245 -16.952 -12.099 131 HD3 PRO 15 3HD PRO 15 6.247 -18.322 -12.627 132 H LEU 16 H LEU 16 6.401 -15.456 -10.080 133 HA LEU 16 HA LEU 16 6.226 -14.474 -7.613 134 HB2 LEU 16 2HB LEU 16 6.470 -12.303 -9.579 135 HB3 LEU 16 3HB LEU 16 7.560 -12.787 -8.281 136 HG LEU 16 HG LEU 16 7.343 -14.195 -10.940 137 HD11 LEU 16 1HD1 LEU 16 9.827 -13.023 -10.788 138 HD12 LEU 16 2HD1 LEU 16 8.754 -11.779 -10.148 139 HD13 LEU 16 3HD1 LEU 16 8.466 -12.450 -11.753 140 HD21 LEU 16 1HD2 LEU 16 8.854 -14.655 -8.445 141 HD22 LEU 16 2HD2 LEU 16 9.751 -14.840 -9.952 142 HD23 LEU 16 3HD2 LEU 16 8.299 -15.799 -9.667 143 H PHE 17 H PHE 17 4.392 -13.022 -10.307 144 HA PHE 17 HA PHE 17 2.375 -12.166 -8.344 145 HB2 PHE 17 2HB PHE 17 3.718 -10.564 -10.491 146 HB3 PHE 17 3HB PHE 17 2.063 -10.181 -10.029 147 HD1 PHE 17 HD1 PHE 17 5.158 -11.109 -8.158 148 HD2 PHE 17 HD2 PHE 17 1.956 -8.351 -8.662 149 HE1 PHE 17 HE1 PHE 17 5.999 -9.791 -6.258 150 HE2 PHE 17 HE2 PHE 17 2.792 -7.027 -6.764 151 HZ PHE 17 HZ PHE 17 4.817 -7.746 -5.559 152 H GLY 18 H GLY 18 2.755 -14.372 -10.475 153 HA2 GLY 18 2HA GLY 18 0.038 -14.108 -11.548 154 HA3 GLY 18 3HA GLY 18 1.351 -14.407 -12.677 Start of MODEL 3 1 H1 LYS 1 H LYS 1 0.334 0.680 -0.846 2 HA LYS 1 HA LYS 1 2.897 0.708 -1.780 3 HB2 LYS 1 2HB LYS 1 2.554 -1.200 0.466 4 HB3 LYS 1 3HB LYS 1 3.442 -1.786 -0.935 5 HG2 LYS 1 2HG LYS 1 5.078 -0.939 0.495 6 HG3 LYS 1 3HG LYS 1 4.852 0.324 -0.718 7 HD2 LYS 1 2HD LYS 1 4.622 1.708 1.029 8 HD3 LYS 1 3HD LYS 1 3.011 1.006 1.195 9 HE2 LYS 1 2HE LYS 1 4.429 -0.823 2.544 10 HE3 LYS 1 3HE LYS 1 5.450 0.588 2.818 11 HZ1 LYS 1 1HZ LYS 1 2.659 1.127 3.207 12 HZ2 LYS 1 2HZ LYS 1 3.973 1.456 4.220 13 HZ3 LYS 1 3HZ LYS 1 3.242 -0.069 4.251 14 H ASN 2 H ASN 2 3.427 -1.428 -3.078 15 HA ASN 2 HA ASN 2 0.909 -2.227 -4.372 16 HB2 ASN 2 2HB ASN 2 3.729 -2.062 -5.450 17 HB3 ASN 2 3HB ASN 2 2.383 -2.768 -6.341 18 HD21 ASN 2 1HD2 ASN 2 3.305 -0.954 -7.767 19 HD22 ASN 2 2HD2 ASN 2 2.506 0.572 -7.633 20 H LYS 3 H LYS 3 0.249 -4.144 -3.646 21 HA LYS 3 HA LYS 3 2.140 -6.157 -2.778 22 HB2 LYS 3 2HB LYS 3 -0.877 -6.259 -2.951 23 HB3 LYS 3 3HB LYS 3 0.146 -7.452 -2.163 24 HG2 LYS 3 2HG LYS 3 0.172 -4.575 -1.327 25 HG3 LYS 3 3HG LYS 3 -1.022 -5.713 -0.701 26 HD2 LYS 3 2HD LYS 3 0.592 -5.950 0.896 27 HD3 LYS 3 3HD LYS 3 1.145 -7.171 -0.253 28 HE2 LYS 3 2HE LYS 3 3.110 -6.108 -0.181 29 HE3 LYS 3 3HE LYS 3 2.338 -4.881 -1.184 30 HZ1 LYS 3 1HZ LYS 3 3.514 -4.265 1.060 31 HZ2 LYS 3 2HZ LYS 3 2.016 -4.690 1.719 32 HZ3 LYS 3 3HZ LYS 3 2.112 -3.461 0.561 33 H SER 4 H SER 4 -0.275 -5.775 -5.347 34 HA SER 4 HA SER 4 0.999 -8.029 -6.755 35 HB2 SER 4 2HB SER 4 -1.911 -7.214 -6.685 36 HB3 SER 4 3HB SER 4 -1.255 -8.351 -7.863 37 HG SER 4 HG SER 4 -0.862 -9.791 -6.279 38 H ARG 5 H ARG 5 -0.156 -4.770 -6.888 39 HA ARG 5 HA ARG 5 -0.353 -4.318 -9.614 40 HB2 ARG 5 2HB ARG 5 -0.551 -2.759 -7.399 41 HB3 ARG 5 3HB ARG 5 0.968 -2.179 -8.068 42 HG2 ARG 5 2HG ARG 5 -0.034 -1.153 -9.792 43 HG3 ARG 5 3HG ARG 5 -1.212 -2.448 -10.012 44 HD2 ARG 5 2HD ARG 5 -2.748 -1.428 -8.732 45 HD3 ARG 5 3HD ARG 5 -1.554 -0.930 -7.534 46 HE ARG 5 HE ARG 5 -1.494 1.116 -8.535 47 HH11 ARG 5 1HH1 ARG 5 -2.748 -1.197 -10.816 48 HH12 ARG 5 2HH1 ARG 5 -3.104 -0.007 -12.024 49 HH21 ARG 5 1HH2 ARG 5 -1.958 2.691 -10.118 50 HH22 ARG 5 2HH2 ARG 5 -2.653 2.204 -11.627 51 H VAL 6 H VAL 6 2.461 -4.825 -7.651 52 HA VAL 6 HA VAL 6 4.418 -3.673 -9.305 53 HB VAL 6 HB VAL 6 4.835 -6.138 -7.621 54 HG11 VAL 6 1HG1 VAL 6 6.713 -5.529 -9.023 55 HG12 VAL 6 2HG1 VAL 6 6.655 -3.870 -8.423 56 HG13 VAL 6 3HG1 VAL 6 7.090 -5.188 -7.334 57 HG21 VAL 6 1HG2 VAL 6 3.698 -4.634 -6.182 58 HG22 VAL 6 2HG2 VAL 6 5.412 -4.495 -5.795 59 HG23 VAL 6 3HG2 VAL 6 4.626 -3.257 -6.774 60 H ALA 7 H ALA 7 2.470 -6.427 -9.752 61 HA ALA 7 HA ALA 7 4.033 -8.205 -11.153 62 HB1 ALA 7 1HB ALA 7 1.559 -8.364 -10.526 63 HB2 ALA 7 2HB ALA 7 1.251 -7.534 -12.052 64 HB3 ALA 7 3HB ALA 7 2.066 -9.097 -12.048 65 H ARG 8 H ARG 8 3.024 -5.039 -12.089 66 HA ARG 8 HA ARG 8 3.041 -5.106 -14.833 67 HB2 ARG 8 2HB ARG 8 4.038 -2.750 -14.652 68 HB3 ARG 8 3HB ARG 8 2.505 -3.048 -13.844 69 HG2 ARG 8 2HG ARG 8 3.352 -2.489 -11.874 70 HG3 ARG 8 3HG ARG 8 4.714 -3.593 -12.079 71 HD2 ARG 8 2HD ARG 8 5.494 -1.305 -11.801 72 HD3 ARG 8 3HD ARG 8 5.878 -1.904 -13.414 73 HE ARG 8 HE ARG 8 3.448 -0.596 -13.614 74 HH11 ARG 8 1HH1 ARG 8 6.729 0.193 -12.757 75 HH12 ARG 8 2HH1 ARG 8 6.615 1.833 -13.305 76 HH21 ARG 8 1HH2 ARG 8 3.286 1.561 -14.338 77 HH22 ARG 8 2HH2 ARG 8 4.656 2.610 -14.203 78 H GLY 9 H GLY 9 5.702 -5.551 -12.666 79 HA2 GLY 9 2HA GLY 9 7.907 -4.856 -14.147 80 HA3 GLY 9 3HA GLY 9 7.857 -6.246 -13.073 81 H TRP 10 H TRP 10 6.088 -7.901 -14.371 82 HA TRP 10 HA TRP 10 7.366 -8.345 -16.987 83 HB2 TRP 10 2HB TRP 10 7.036 -10.840 -16.439 84 HB3 TRP 10 3HB TRP 10 8.359 -9.993 -15.643 85 HD1 TRP 10 HD1 TRP 10 5.422 -12.122 -14.905 86 HE1 TRP 10 HE1 TRP 10 4.997 -12.219 -12.368 87 HE3 TRP 10 HE3 TRP 10 8.483 -8.305 -13.422 88 HZ2 TRP 10 HZ2 TRP 10 5.847 -10.858 -10.046 89 HZ3 TRP 10 HZ3 TRP 10 8.620 -7.766 -11.025 90 HH2 TRP 10 HH2 TRP 10 7.328 -9.017 -9.374 91 H GLY 11 H GLY 11 5.451 -10.911 -16.495 92 HA2 GLY 11 2HA GLY 11 3.031 -9.563 -17.516 93 HA3 GLY 11 3HA GLY 11 3.673 -11.000 -18.297 94 H ARG 12 H ARG 12 2.544 -12.754 -17.836 95 HA ARG 12 HA ARG 12 1.482 -13.058 -15.105 96 HB2 ARG 12 2HB ARG 12 -0.339 -14.465 -16.318 97 HB3 ARG 12 3HB ARG 12 -0.469 -12.711 -16.309 98 HG2 ARG 12 2HG ARG 12 0.143 -12.528 -18.543 99 HG3 ARG 12 3HG ARG 12 0.870 -14.136 -18.573 100 HD2 ARG 12 2HD ARG 12 -1.194 -14.242 -19.771 101 HD3 ARG 12 3HD ARG 12 -1.411 -15.091 -18.241 102 HE ARG 12 HE ARG 12 -2.268 -12.572 -17.705 103 HH11 ARG 12 1HH1 ARG 12 -3.048 -14.924 -20.151 104 HH12 ARG 12 2HH1 ARG 12 -4.685 -14.386 -20.331 105 HH21 ARG 12 1HH2 ARG 12 -4.421 -11.855 -17.933 106 HH22 ARG 12 2HH2 ARG 12 -5.465 -12.640 -19.070 107 H LYS 13 H LYS 13 2.889 -14.568 -17.929 108 HA LYS 13 HA LYS 13 2.745 -17.243 -17.328 109 HB2 LYS 13 2HB LYS 13 5.157 -17.267 -18.379 110 HB3 LYS 13 3HB LYS 13 3.755 -16.854 -19.359 111 HG2 LYS 13 2HG LYS 13 4.245 -14.527 -19.217 112 HG3 LYS 13 3HG LYS 13 5.505 -14.810 -18.013 113 HD2 LYS 13 2HD LYS 13 6.916 -14.790 -19.754 114 HD3 LYS 13 3HD LYS 13 6.306 -16.413 -20.084 115 HE2 LYS 13 2HE LYS 13 4.456 -14.612 -21.206 116 HE3 LYS 13 3HE LYS 13 6.057 -14.026 -21.652 117 HZ1 LYS 13 1HZ LYS 13 6.550 -15.981 -22.766 118 HZ2 LYS 13 2HZ LYS 13 4.924 -15.733 -23.160 119 HZ3 LYS 13 3HZ LYS 13 5.344 -16.871 -21.981 120 H CYS 14 H CYS 14 4.585 -14.781 -15.729 121 HA CYS 14 HA CYS 14 6.293 -16.646 -14.329 122 HB2 CYS 14 2HB CYS 14 6.384 -13.901 -14.897 123 HB3 CYS 14 3HB CYS 14 6.198 -14.006 -13.150 124 HG CYS 14 HG CYS 14 8.618 -15.757 -14.804 125 HA PRO 15 HA PRO 15 3.441 -17.484 -11.063 126 HB2 PRO 15 2HB PRO 15 5.211 -18.548 -9.301 127 HB3 PRO 15 3HB PRO 15 4.640 -19.415 -10.731 128 HG2 PRO 15 2HG PRO 15 7.197 -17.913 -10.322 129 HG3 PRO 15 3HG PRO 15 6.934 -19.482 -11.105 130 HD2 PRO 15 2HD PRO 15 7.264 -17.190 -12.509 131 HD3 PRO 15 3HD PRO 15 6.238 -18.521 -13.081 132 H LEU 16 H LEU 16 6.462 -15.758 -10.428 133 HA LEU 16 HA LEU 16 6.324 -14.869 -7.923 134 HB2 LEU 16 2HB LEU 16 6.593 -12.628 -9.804 135 HB3 LEU 16 3HB LEU 16 7.684 -13.184 -8.537 136 HG LEU 16 HG LEU 16 7.418 -14.481 -11.247 137 HD11 LEU 16 1HD1 LEU 16 8.580 -12.742 -12.009 138 HD12 LEU 16 2HD1 LEU 16 9.928 -13.354 -11.053 139 HD13 LEU 16 3HD1 LEU 16 8.865 -12.116 -10.385 140 HD21 LEU 16 1HD2 LEU 16 9.823 -15.207 -10.308 141 HD22 LEU 16 2HD2 LEU 16 8.356 -16.152 -10.050 142 HD23 LEU 16 3HD2 LEU 16 8.942 -15.068 -8.787 143 H PHE 17 H PHE 17 4.497 -13.282 -10.545 144 HA PHE 17 HA PHE 17 2.510 -12.466 -8.534 145 HB2 PHE 17 2HB PHE 17 3.866 -10.807 -10.629 146 HB3 PHE 17 3HB PHE 17 2.222 -10.412 -10.139 147 HD1 PHE 17 HD1 PHE 17 2.161 -8.632 -8.706 148 HD2 PHE 17 HD2 PHE 17 5.312 -11.468 -8.327 149 HE1 PHE 17 HE1 PHE 17 3.036 -7.396 -6.766 150 HE2 PHE 17 HE2 PHE 17 6.191 -10.238 -6.387 151 HZ PHE 17 HZ PHE 17 5.053 -8.200 -5.603 152 H GLY 18 H GLY 18 2.834 -14.596 -10.748 153 HA2 GLY 18 2HA GLY 18 0.872 -14.004 -12.722 154 HA3 GLY 18 3HA GLY 18 1.522 -15.594 -12.353 Start of MODEL 4 1 H1 LYS 1 H LYS 1 1.672 2.183 -0.887 2 HA LYS 1 HA LYS 1 3.122 0.822 -2.194 3 HB2 LYS 1 2HB LYS 1 1.942 -0.328 0.221 4 HB3 LYS 1 3HB LYS 1 2.608 -1.542 -0.862 5 HG2 LYS 1 2HG LYS 1 4.724 -0.944 -0.436 6 HG3 LYS 1 3HG LYS 1 4.342 0.779 -0.415 7 HD2 LYS 1 2HD LYS 1 3.499 0.619 1.832 8 HD3 LYS 1 3HD LYS 1 3.670 -1.138 1.815 9 HE2 LYS 1 2HE LYS 1 6.186 -0.074 1.132 10 HE3 LYS 1 3HE LYS 1 5.599 0.868 2.502 11 HZ1 LYS 1 1HZ LYS 1 6.053 -2.051 2.352 12 HZ2 LYS 1 2HZ LYS 1 5.101 -1.358 3.566 13 HZ3 LYS 1 3HZ LYS 1 6.734 -0.937 3.428 14 H ASN 2 H ASN 2 3.408 -1.231 -3.381 15 HA ASN 2 HA ASN 2 0.912 -1.995 -4.747 16 HB2 ASN 2 2HB ASN 2 3.751 -1.889 -5.783 17 HB3 ASN 2 3HB ASN 2 2.408 -2.596 -6.676 18 HD21 ASN 2 1HD2 ASN 2 4.246 0.022 -6.544 19 HD22 ASN 2 2HD2 ASN 2 3.132 1.232 -7.075 20 H LYS 3 H LYS 3 0.230 -3.884 -3.967 21 HA LYS 3 HA LYS 3 2.097 -5.881 -3.014 22 HB2 LYS 3 2HB LYS 3 -0.919 -5.967 -3.220 23 HB3 LYS 3 3HB LYS 3 0.086 -7.143 -2.384 24 HG2 LYS 3 2HG LYS 3 0.157 -4.248 -1.629 25 HG3 LYS 3 3HG LYS 3 -1.095 -5.326 -1.007 26 HD2 LYS 3 2HD LYS 3 0.398 -6.566 0.230 27 HD3 LYS 3 3HD LYS 3 1.761 -6.167 -0.818 28 HE2 LYS 3 2HE LYS 3 1.253 -3.728 0.096 29 HE3 LYS 3 3HE LYS 3 0.582 -4.643 1.444 30 HZ1 LYS 3 1HZ LYS 3 2.920 -4.084 1.782 31 HZ2 LYS 3 2HZ LYS 3 3.341 -4.939 0.385 32 HZ3 LYS 3 3HZ LYS 3 2.692 -5.759 1.715 33 H SER 4 H SER 4 -0.286 -5.562 -5.622 34 HA SER 4 HA SER 4 0.988 -7.868 -6.945 35 HB2 SER 4 2HB SER 4 -1.915 -7.039 -6.893 36 HB3 SER 4 3HB SER 4 -1.272 -8.170 -8.084 37 HG SER 4 HG SER 4 -1.991 -9.406 -6.419 38 H ARG 5 H ARG 5 -0.141 -4.607 -7.192 39 HA ARG 5 HA ARG 5 -0.302 -4.238 -9.933 40 HB2 ARG 5 2HB ARG 5 -0.514 -2.610 -7.769 41 HB3 ARG 5 3HB ARG 5 1.016 -2.061 -8.439 42 HG2 ARG 5 2HG ARG 5 0.038 -1.072 -10.195 43 HG3 ARG 5 3HG ARG 5 -1.133 -2.375 -10.406 44 HD2 ARG 5 2HD ARG 5 -2.560 -1.494 -8.746 45 HD3 ARG 5 3HD ARG 5 -1.314 -0.399 -8.148 46 HE ARG 5 HE ARG 5 -1.849 0.223 -10.828 47 HH11 ARG 5 1HH1 ARG 5 -3.374 0.360 -7.701 48 HH12 ARG 5 2HH1 ARG 5 -4.363 1.726 -8.099 49 HH21 ARG 5 1HH2 ARG 5 -3.145 2.021 -11.363 50 HH22 ARG 5 2HH2 ARG 5 -4.232 2.670 -10.182 51 H VAL 6 H VAL 6 2.484 -4.703 -7.921 52 HA VAL 6 HA VAL 6 4.470 -3.617 -9.585 53 HB VAL 6 HB VAL 6 4.848 -6.031 -7.821 54 HG11 VAL 6 1HG1 VAL 6 6.692 -3.803 -8.676 55 HG12 VAL 6 2HG1 VAL 6 7.106 -5.083 -7.535 56 HG13 VAL 6 3HG1 VAL 6 6.748 -5.481 -9.216 57 HG21 VAL 6 1HG2 VAL 6 4.649 -3.124 -7.068 58 HG22 VAL 6 2HG2 VAL 6 3.704 -4.476 -6.442 59 HG23 VAL 6 3HG2 VAL 6 5.416 -4.336 -6.041 60 H ALA 7 H ALA 7 2.506 -6.369 -9.972 61 HA ALA 7 HA ALA 7 4.074 -8.200 -11.299 62 HB1 ALA 7 1HB ALA 7 1.590 -8.322 -10.697 63 HB2 ALA 7 2HB ALA 7 1.307 -7.538 -12.252 64 HB3 ALA 7 3HB ALA 7 2.111 -9.106 -12.189 65 H ARG 8 H ARG 8 3.099 -5.057 -12.343 66 HA ARG 8 HA ARG 8 3.148 -5.209 -15.083 67 HB2 ARG 8 2HB ARG 8 4.158 -2.855 -14.963 68 HB3 ARG 8 3HB ARG 8 2.614 -3.118 -14.163 69 HG2 ARG 8 2HG ARG 8 3.443 -2.503 -12.203 70 HG3 ARG 8 3HG ARG 8 4.799 -3.622 -12.357 71 HD2 ARG 8 2HD ARG 8 5.836 -1.546 -12.233 72 HD3 ARG 8 3HD ARG 8 5.781 -1.866 -13.966 73 HE ARG 8 HE ARG 8 4.366 -0.084 -14.216 74 HH11 ARG 8 1HH1 ARG 8 4.518 -0.961 -10.850 75 HH12 ARG 8 2HH1 ARG 8 3.624 0.424 -10.315 76 HH21 ARG 8 1HH2 ARG 8 3.188 1.743 -13.523 77 HH22 ARG 8 2HH2 ARG 8 2.867 1.960 -11.836 78 H GLY 9 H GLY 9 5.779 -5.604 -12.871 79 HA2 GLY 9 2HA GLY 9 8.007 -4.969 -14.345 80 HA3 GLY 9 3HA GLY 9 7.934 -6.325 -13.230 81 H TRP 10 H TRP 10 6.170 -8.007 -14.500 82 HA TRP 10 HA TRP 10 7.477 -8.539 -17.085 83 HB2 TRP 10 2HB TRP 10 7.123 -11.014 -16.466 84 HB3 TRP 10 3HB TRP 10 8.442 -10.152 -15.680 85 HD1 TRP 10 HD1 TRP 10 5.481 -12.238 -14.914 86 HE1 TRP 10 HE1 TRP 10 5.025 -12.255 -12.381 87 HE3 TRP 10 HE3 TRP 10 8.550 -8.398 -13.509 88 HZ2 TRP 10 HZ2 TRP 10 5.856 -10.830 -10.090 89 HZ3 TRP 10 HZ3 TRP 10 8.662 -7.788 -11.128 90 HH2 TRP 10 HH2 TRP 10 7.341 -8.979 -9.456 91 H GLY 11 H GLY 11 5.538 -11.076 -16.539 92 HA2 GLY 11 2HA GLY 11 3.140 -9.744 -17.630 93 HA3 GLY 11 3HA GLY 11 3.782 -11.208 -18.359 94 H ARG 12 H ARG 12 2.634 -12.940 -17.860 95 HA ARG 12 HA ARG 12 1.538 -13.154 -15.134 96 HB2 ARG 12 2HB ARG 12 -0.274 -14.591 -16.336 97 HB3 ARG 12 3HB ARG 12 -0.400 -12.838 -16.363 98 HG2 ARG 12 2HG ARG 12 0.270 -12.703 -18.593 99 HG3 ARG 12 3HG ARG 12 0.942 -14.335 -18.583 100 HD2 ARG 12 2HD ARG 12 -1.111 -14.395 -19.802 101 HD3 ARG 12 3HD ARG 12 -1.375 -15.203 -18.258 102 HE ARG 12 HE ARG 12 -2.104 -12.547 -17.921 103 HH11 ARG 12 1HH1 ARG 12 -3.107 -15.288 -19.819 104 HH12 ARG 12 2HH1 ARG 12 -4.762 -14.785 -19.909 105 HH21 ARG 12 1HH2 ARG 12 -4.281 -11.874 -18.033 106 HH22 ARG 12 2HH2 ARG 12 -5.429 -12.842 -18.894 107 H LYS 13 H LYS 13 2.971 -14.756 -17.892 108 HA LYS 13 HA LYS 13 2.800 -17.411 -17.215 109 HB2 LYS 13 2HB LYS 13 5.224 -17.484 -18.234 110 HB3 LYS 13 3HB LYS 13 3.839 -17.089 -19.243 111 HG2 LYS 13 2HG LYS 13 4.346 -14.763 -19.161 112 HG3 LYS 13 3HG LYS 13 5.588 -15.021 -17.934 113 HD2 LYS 13 2HD LYS 13 6.997 -15.017 -19.688 114 HD3 LYS 13 3HD LYS 13 6.444 -16.679 -19.911 115 HE2 LYS 13 2HE LYS 13 5.482 -16.170 -21.852 116 HE3 LYS 13 3HE LYS 13 4.618 -14.812 -21.133 117 HZ1 LYS 13 1HZ LYS 13 6.584 -14.614 -22.979 118 HZ2 LYS 13 2HZ LYS 13 7.418 -14.305 -21.541 119 HZ3 LYS 13 3HZ LYS 13 6.078 -13.362 -21.959 120 H CYS 14 H CYS 14 4.638 -14.915 -15.666 121 HA CYS 14 HA CYS 14 6.314 -16.748 -14.189 122 HB2 CYS 14 2HB CYS 14 6.433 -14.023 -14.839 123 HB3 CYS 14 3HB CYS 14 6.224 -14.073 -13.093 124 HG CYS 14 HG CYS 14 8.666 -15.843 -14.701 125 HA PRO 15 HA PRO 15 3.415 -17.466 -10.936 126 HB2 PRO 15 2HB PRO 15 5.155 -18.488 -9.119 127 HB3 PRO 15 3HB PRO 15 4.596 -19.395 -10.530 128 HG2 PRO 15 2HG PRO 15 7.159 -17.898 -10.134 129 HG3 PRO 15 3HG PRO 15 6.894 -19.489 -10.872 130 HD2 PRO 15 2HD PRO 15 7.259 -17.243 -12.341 131 HD3 PRO 15 3HD PRO 15 6.230 -18.584 -12.885 132 H LEU 16 H LEU 16 6.442 -15.743 -10.315 133 HA LEU 16 HA LEU 16 6.278 -14.777 -7.840 134 HB2 LEU 16 2HB LEU 16 6.587 -12.597 -9.787 135 HB3 LEU 16 3HB LEU 16 7.657 -13.119 -8.487 136 HG LEU 16 HG LEU 16 7.419 -14.499 -11.159 137 HD11 LEU 16 1HD1 LEU 16 9.930 -13.392 -10.987 138 HD12 LEU 16 2HD1 LEU 16 8.887 -12.126 -10.339 139 HD13 LEU 16 3HD1 LEU 16 8.589 -12.775 -11.951 140 HD21 LEU 16 1HD2 LEU 16 9.807 -15.210 -10.162 141 HD22 LEU 16 2HD2 LEU 16 8.330 -16.138 -9.898 142 HD23 LEU 16 3HD2 LEU 16 8.903 -15.019 -8.660 143 H PHE 17 H PHE 17 4.495 -13.258 -10.532 144 HA PHE 17 HA PHE 17 2.490 -12.368 -8.571 145 HB2 PHE 17 2HB PHE 17 3.883 -10.783 -10.699 146 HB3 PHE 17 3HB PHE 17 2.235 -10.362 -10.242 147 HD1 PHE 17 HD1 PHE 17 2.169 -8.539 -8.863 148 HD2 PHE 17 HD2 PHE 17 5.297 -11.383 -8.361 149 HE1 PHE 17 HE1 PHE 17 3.029 -7.251 -6.951 150 HE2 PHE 17 HE2 PHE 17 6.160 -10.100 -6.448 151 HZ PHE 17 HZ PHE 17 5.026 -8.032 -5.740 152 H GLY 18 H GLY 18 2.827 -14.566 -10.718 153 HA2 GLY 18 2HA GLY 18 1.004 -14.087 -12.801 154 HA3 GLY 18 3HA GLY 18 1.463 -15.672 -12.196 Start of MODEL 5 1 H1 LYS 1 H LYS 1 2.364 1.217 0.290 2 HA LYS 1 HA LYS 1 3.163 1.128 -1.921 3 HB2 LYS 1 2HB LYS 1 5.114 -0.279 -1.902 4 HB3 LYS 1 3HB LYS 1 4.894 0.383 -0.288 5 HG2 LYS 1 2HG LYS 1 3.500 -2.029 -0.275 6 HG3 LYS 1 3HG LYS 1 4.997 -2.360 -1.149 7 HD2 LYS 1 2HD LYS 1 5.884 -2.633 0.897 8 HD3 LYS 1 3HD LYS 1 5.901 -0.868 0.946 9 HE2 LYS 1 2HE LYS 1 4.633 -1.019 2.771 10 HE3 LYS 1 3HE LYS 1 3.324 -1.544 1.713 11 HZ1 LYS 1 1HZ LYS 1 5.016 -3.117 3.498 12 HZ2 LYS 1 2HZ LYS 1 4.540 -3.847 2.049 13 HZ3 LYS 1 3HZ LYS 1 3.372 -3.288 3.137 14 H ASN 2 H ASN 2 3.587 -0.220 -3.860 15 HA ASN 2 HA ASN 2 1.270 -1.618 -4.634 16 HB2 ASN 2 2HB ASN 2 4.013 -1.474 -5.898 17 HB3 ASN 2 3HB ASN 2 2.621 -2.232 -6.665 18 HD21 ASN 2 1HD2 ASN 2 4.253 0.108 -7.422 19 HD22 ASN 2 2HD2 ASN 2 3.128 1.404 -7.622 20 H LYS 3 H LYS 3 0.694 -3.503 -3.765 21 HA LYS 3 HA LYS 3 2.675 -5.440 -2.924 22 HB2 LYS 3 2HB LYS 3 -0.345 -5.593 -2.887 23 HB3 LYS 3 3HB LYS 3 0.748 -6.730 -2.111 24 HG2 LYS 3 2HG LYS 3 1.619 -4.502 -0.955 25 HG3 LYS 3 3HG LYS 3 -0.035 -3.992 -1.304 26 HD2 LYS 3 2HD LYS 3 0.586 -6.598 0.061 27 HD3 LYS 3 3HD LYS 3 0.390 -5.090 0.958 28 HE2 LYS 3 2HE LYS 3 -1.789 -5.247 -0.808 29 HE3 LYS 3 3HE LYS 3 -1.612 -6.853 -0.103 30 HZ1 LYS 3 1HZ LYS 3 -1.451 -4.582 1.718 31 HZ2 LYS 3 2HZ LYS 3 -2.135 -6.110 1.953 32 HZ3 LYS 3 3HZ LYS 3 -2.975 -4.934 1.073 33 H SER 4 H SER 4 0.087 -5.228 -5.340 34 HA SER 4 HA SER 4 1.304 -7.534 -6.714 35 HB2 SER 4 2HB SER 4 -1.605 -6.766 -6.451 36 HB3 SER 4 3HB SER 4 -1.030 -7.913 -7.661 37 HG SER 4 HG SER 4 -1.427 -9.235 -6.032 38 H ARG 5 H ARG 5 0.088 -4.303 -6.934 39 HA ARG 5 HA ARG 5 -0.300 -3.998 -9.661 40 HB2 ARG 5 2HB ARG 5 0.546 -2.153 -7.467 41 HB3 ARG 5 3HB ARG 5 0.635 -1.587 -9.129 42 HG2 ARG 5 2HG ARG 5 -1.820 -2.412 -9.273 43 HG3 ARG 5 3HG ARG 5 -1.759 -2.331 -7.511 44 HD2 ARG 5 2HD ARG 5 -2.134 -0.146 -7.620 45 HD3 ARG 5 3HD ARG 5 -0.613 0.054 -8.488 46 HE ARG 5 HE ARG 5 -1.794 0.321 -10.434 47 HH11 ARG 5 1HH1 ARG 5 -3.893 -0.983 -7.982 48 HH12 ARG 5 2HH1 ARG 5 -5.331 -0.797 -8.930 49 HH21 ARG 5 1HH2 ARG 5 -3.680 0.571 -11.692 50 HH22 ARG 5 2HH2 ARG 5 -5.209 0.086 -11.040 51 H VAL 6 H VAL 6 2.646 -4.366 -7.870 52 HA VAL 6 HA VAL 6 4.468 -3.272 -9.710 53 HB VAL 6 HB VAL 6 5.042 -5.637 -7.931 54 HG11 VAL 6 1HG1 VAL 6 6.758 -3.389 -8.980 55 HG12 VAL 6 2HG1 VAL 6 7.292 -4.630 -7.845 56 HG13 VAL 6 3HG1 VAL 6 6.813 -5.078 -9.482 57 HG21 VAL 6 1HG2 VAL 6 5.708 -3.892 -6.237 58 HG22 VAL 6 2HG2 VAL 6 4.836 -2.717 -7.223 59 HG23 VAL 6 3HG2 VAL 6 3.974 -4.075 -6.499 60 H ALA 7 H ALA 7 2.543 -6.071 -9.882 61 HA ALA 7 HA ALA 7 4.042 -7.899 -11.291 62 HB1 ALA 7 1HB ALA 7 1.195 -7.316 -12.036 63 HB2 ALA 7 2HB ALA 7 2.036 -8.867 -12.001 64 HB3 ALA 7 3HB ALA 7 1.615 -8.057 -10.492 65 H ARG 8 H ARG 8 2.916 -4.802 -12.319 66 HA ARG 8 HA ARG 8 2.752 -5.014 -15.050 67 HB2 ARG 8 2HB ARG 8 3.714 -2.637 -15.060 68 HB3 ARG 8 3HB ARG 8 2.245 -2.914 -14.135 69 HG2 ARG 8 2HG ARG 8 3.213 -2.236 -12.261 70 HG3 ARG 8 3HG ARG 8 4.576 -3.332 -12.498 71 HD2 ARG 8 2HD ARG 8 5.192 -1.477 -14.324 72 HD3 ARG 8 3HD ARG 8 4.288 -0.470 -13.194 73 HE ARG 8 HE ARG 8 6.280 -2.105 -11.929 74 HH11 ARG 8 1HH1 ARG 8 5.675 0.906 -13.567 75 HH12 ARG 8 2HH1 ARG 8 7.025 1.719 -12.847 76 HH21 ARG 8 1HH2 ARG 8 8.060 -1.046 -10.975 77 HH22 ARG 8 2HH2 ARG 8 8.382 0.608 -11.374 78 H GLY 9 H GLY 9 5.558 -5.305 -13.047 79 HA2 GLY 9 2HA GLY 9 7.647 -4.656 -14.707 80 HA3 GLY 9 3HA GLY 9 7.694 -5.988 -13.562 81 H TRP 10 H TRP 10 5.872 -7.734 -14.652 82 HA TRP 10 HA TRP 10 6.982 -8.297 -17.322 83 HB2 TRP 10 2HB TRP 10 6.734 -10.764 -16.625 84 HB3 TRP 10 3HB TRP 10 8.092 -9.858 -15.964 85 HD1 TRP 10 HD1 TRP 10 5.248 -11.986 -14.922 86 HE1 TRP 10 HE1 TRP 10 4.993 -11.957 -12.361 87 HE3 TRP 10 HE3 TRP 10 8.332 -8.054 -13.846 88 HZ2 TRP 10 HZ2 TRP 10 5.970 -10.464 -10.174 89 HZ3 TRP 10 HZ3 TRP 10 8.617 -7.388 -11.495 90 HH2 TRP 10 HH2 TRP 10 7.459 -8.569 -9.698 91 H GLY 11 H GLY 11 5.151 -10.861 -16.571 92 HA2 GLY 11 2HA GLY 11 2.644 -9.603 -17.496 93 HA3 GLY 11 3HA GLY 11 3.259 -11.070 -18.243 94 H ARG 12 H ARG 12 2.194 -12.814 -17.618 95 HA ARG 12 HA ARG 12 1.321 -12.988 -14.810 96 HB2 ARG 12 2HB ARG 12 -0.548 -14.489 -15.833 97 HB3 ARG 12 3HB ARG 12 -0.714 -12.739 -15.888 98 HG2 ARG 12 2HG ARG 12 -0.185 -12.651 -18.171 99 HG3 ARG 12 3HG ARG 12 0.457 -14.295 -18.169 100 HD2 ARG 12 2HD ARG 12 -2.132 -14.627 -17.290 101 HD3 ARG 12 3HD ARG 12 -2.279 -13.352 -18.499 102 HE ARG 12 HE ARG 12 -0.702 -15.543 -19.426 103 HH11 ARG 12 1HH1 ARG 12 -3.967 -14.437 -18.939 104 HH12 ARG 12 2HH1 ARG 12 -4.633 -15.448 -20.179 105 HH21 ARG 12 1HH2 ARG 12 -1.566 -16.879 -21.061 106 HH22 ARG 12 2HH2 ARG 12 -3.267 -16.838 -21.384 107 H LYS 13 H LYS 13 2.567 -14.623 -17.639 108 HA LYS 13 HA LYS 13 2.510 -17.265 -16.894 109 HB2 LYS 13 2HB LYS 13 4.845 -17.313 -18.101 110 HB3 LYS 13 3HB LYS 13 3.378 -16.964 -19.006 111 HG2 LYS 13 2HG LYS 13 3.844 -14.627 -19.006 112 HG3 LYS 13 3HG LYS 13 5.186 -14.840 -17.879 113 HD2 LYS 13 2HD LYS 13 6.431 -14.820 -19.759 114 HD3 LYS 13 3HD LYS 13 5.939 -16.512 -19.866 115 HE2 LYS 13 2HE LYS 13 4.829 -16.125 -21.752 116 HE3 LYS 13 3HE LYS 13 3.917 -14.816 -21.001 117 HZ1 LYS 13 1HZ LYS 13 5.409 -14.302 -23.013 118 HZ2 LYS 13 2HZ LYS 13 6.686 -14.371 -21.907 119 HZ3 LYS 13 3HZ LYS 13 5.442 -13.245 -21.692 120 H CYS 14 H CYS 14 4.408 -14.697 -15.549 121 HA CYS 14 HA CYS 14 6.235 -16.462 -14.171 122 HB2 CYS 14 2HB CYS 14 6.241 -13.749 -14.885 123 HB3 CYS 14 3HB CYS 14 6.173 -13.765 -13.127 124 HG CYS 14 HG CYS 14 8.505 -15.150 -12.746 125 HA PRO 15 HA PRO 15 3.617 -17.165 -10.684 126 HB2 PRO 15 2HB PRO 15 5.517 -18.111 -8.991 127 HB3 PRO 15 3HB PRO 15 4.868 -19.060 -10.333 128 HG2 PRO 15 2HG PRO 15 7.421 -17.504 -10.172 129 HG3 PRO 15 3HG PRO 15 7.134 -19.115 -10.854 130 HD2 PRO 15 2HD PRO 15 7.333 -16.896 -12.393 131 HD3 PRO 15 3HD PRO 15 6.294 -18.269 -12.827 132 H LEU 16 H LEU 16 6.644 -15.367 -10.342 133 HA LEU 16 HA LEU 16 6.655 -14.350 -7.882 134 HB2 LEU 16 2HB LEU 16 6.762 -12.208 -9.892 135 HB3 LEU 16 3HB LEU 16 7.942 -12.679 -8.671 136 HG LEU 16 HG LEU 16 7.526 -14.123 -11.286 137 HD11 LEU 16 1HD1 LEU 16 9.009 -11.706 -10.630 138 HD12 LEU 16 2HD1 LEU 16 8.588 -12.389 -12.200 139 HD13 LEU 16 3HD1 LEU 16 10.016 -12.966 -11.343 140 HD21 LEU 16 1HD2 LEU 16 9.999 -14.763 -10.465 141 HD22 LEU 16 2HD2 LEU 16 8.568 -15.715 -10.068 142 HD23 LEU 16 3HD2 LEU 16 9.210 -14.558 -8.901 143 H PHE 17 H PHE 17 4.633 -12.929 -10.455 144 HA PHE 17 HA PHE 17 2.769 -12.035 -8.361 145 HB2 PHE 17 2HB PHE 17 3.955 -10.470 -10.625 146 HB3 PHE 17 3HB PHE 17 2.340 -10.073 -10.047 147 HD1 PHE 17 HD1 PHE 17 2.344 -8.220 -8.706 148 HD2 PHE 17 HD2 PHE 17 5.561 -10.989 -8.395 149 HE1 PHE 17 HE1 PHE 17 3.324 -6.873 -6.896 150 HE2 PHE 17 HE2 PHE 17 6.546 -9.647 -6.584 151 HZ PHE 17 HZ PHE 17 5.427 -7.586 -5.831 152 H GLY 18 H GLY 18 2.984 -14.273 -10.481 153 HA2 GLY 18 2HA GLY 18 0.178 -14.105 -11.260 154 HA3 GLY 18 3HA GLY 18 1.344 -14.225 -12.569 Start of MODEL 6 1 H1 LYS 1 H LYS 1 0.580 -0.609 0.092 2 HA LYS 1 HA LYS 1 2.247 0.775 -1.892 3 HB2 LYS 1 2HB LYS 1 3.127 -1.052 0.200 4 HB3 LYS 1 3HB LYS 1 3.589 -1.607 -1.404 5 HG2 LYS 1 2HG LYS 1 5.351 -0.271 -1.202 6 HG3 LYS 1 3HG LYS 1 4.231 1.069 -1.459 7 HD2 LYS 1 2HD LYS 1 4.094 1.556 0.806 8 HD3 LYS 1 3HD LYS 1 4.629 -0.056 1.286 9 HE2 LYS 1 2HE LYS 1 6.445 1.377 1.735 10 HE3 LYS 1 3HE LYS 1 6.865 0.530 0.247 11 HZ1 LYS 1 1HZ LYS 1 5.468 2.899 -0.373 12 HZ2 LYS 1 2HZ LYS 1 7.047 2.460 -0.793 13 HZ3 LYS 1 3HZ LYS 1 6.753 3.272 0.662 14 H ASN 2 H ASN 2 3.007 -0.913 -3.600 15 HA ASN 2 HA ASN 2 0.610 -2.130 -4.646 16 HB2 ASN 2 2HB ASN 2 3.423 -1.920 -5.735 17 HB3 ASN 2 3HB ASN 2 2.091 -2.679 -6.602 18 HD21 ASN 2 1HD2 ASN 2 3.784 0.116 -6.196 19 HD22 ASN 2 2HD2 ASN 2 2.634 1.239 -6.828 20 H LYS 3 H LYS 3 0.010 -4.042 -3.856 21 HA LYS 3 HA LYS 3 1.964 -5.971 -2.937 22 HB2 LYS 3 2HB LYS 3 -1.051 -6.164 -3.089 23 HB3 LYS 3 3HB LYS 3 0.010 -7.304 -2.272 24 HG2 LYS 3 2HG LYS 3 -0.012 -4.408 -1.517 25 HG3 LYS 3 3HG LYS 3 -1.208 -5.534 -0.870 26 HD2 LYS 3 2HD LYS 3 0.315 -6.620 0.419 27 HD3 LYS 3 3HD LYS 3 1.625 -6.382 -0.740 28 HE2 LYS 3 2HE LYS 3 2.331 -4.535 0.296 29 HE3 LYS 3 3HE LYS 3 0.698 -3.880 0.404 30 HZ1 LYS 3 1HZ LYS 3 2.078 -4.570 2.530 31 HZ2 LYS 3 2HZ LYS 3 1.381 -6.076 2.203 32 HZ3 LYS 3 3HZ LYS 3 0.394 -4.727 2.468 33 H SER 4 H SER 4 -0.474 -5.737 -5.503 34 HA SER 4 HA SER 4 0.857 -7.996 -6.849 35 HB2 SER 4 2HB SER 4 -2.072 -7.274 -6.737 36 HB3 SER 4 3HB SER 4 -1.413 -8.372 -7.950 37 HG SER 4 HG SER 4 -1.761 -9.804 -6.440 38 H ARG 5 H ARG 5 -0.396 -4.778 -7.076 39 HA ARG 5 HA ARG 5 -0.618 -4.415 -9.812 40 HB2 ARG 5 2HB ARG 5 0.115 -2.594 -7.549 41 HB3 ARG 5 3HB ARG 5 0.212 -2.005 -9.203 42 HG2 ARG 5 2HG ARG 5 -2.295 -3.355 -8.405 43 HG3 ARG 5 3HG ARG 5 -1.974 -1.764 -7.711 44 HD2 ARG 5 2HD ARG 5 -1.365 -1.703 -10.498 45 HD3 ARG 5 3HD ARG 5 -2.974 -2.392 -10.281 46 HE ARG 5 HE ARG 5 -2.178 0.327 -9.821 47 HH11 ARG 5 1HH1 ARG 5 -4.460 -2.161 -8.972 48 HH12 ARG 5 2HH1 ARG 5 -5.694 -1.045 -8.487 49 HH21 ARG 5 1HH2 ARG 5 -3.794 1.806 -9.185 50 HH22 ARG 5 2HH2 ARG 5 -5.314 1.211 -8.609 51 H VAL 6 H VAL 6 2.223 -4.768 -7.849 52 HA VAL 6 HA VAL 6 4.136 -3.618 -9.550 53 HB VAL 6 HB VAL 6 4.631 -6.020 -7.797 54 HG11 VAL 6 1HG1 VAL 6 6.383 -3.727 -8.677 55 HG12 VAL 6 2HG1 VAL 6 6.861 -5.001 -7.554 56 HG13 VAL 6 3HG1 VAL 6 6.483 -5.398 -9.231 57 HG21 VAL 6 1HG2 VAL 6 5.176 -4.305 -6.027 58 HG22 VAL 6 2HG2 VAL 6 4.344 -3.121 -7.035 59 HG23 VAL 6 3HG2 VAL 6 3.463 -4.507 -6.393 60 H ALA 7 H ALA 7 2.269 -6.445 -9.897 61 HA ALA 7 HA ALA 7 3.876 -8.213 -11.260 62 HB1 ALA 7 1HB ALA 7 1.066 -7.654 -12.153 63 HB2 ALA 7 2HB ALA 7 1.930 -9.192 -12.111 64 HB3 ALA 7 3HB ALA 7 1.412 -8.431 -10.607 65 H ARG 8 H ARG 8 2.757 -5.110 -12.281 66 HA ARG 8 HA ARG 8 2.756 -5.259 -15.021 67 HB2 ARG 8 2HB ARG 8 3.674 -2.868 -14.921 68 HB3 ARG 8 3HB ARG 8 2.160 -3.191 -14.088 69 HG2 ARG 8 2HG ARG 8 3.007 -2.540 -12.147 70 HG3 ARG 8 3HG ARG 8 4.398 -3.610 -12.328 71 HD2 ARG 8 2HD ARG 8 5.412 -1.891 -13.839 72 HD3 ARG 8 3HD ARG 8 4.083 -0.816 -13.408 73 HE ARG 8 HE ARG 8 5.114 -0.411 -11.409 74 HH11 ARG 8 1HH1 ARG 8 6.471 -3.291 -12.818 75 HH12 ARG 8 2HH1 ARG 8 7.721 -3.442 -11.628 76 HH21 ARG 8 1HH2 ARG 8 6.755 -0.599 -9.836 77 HH22 ARG 8 2HH2 ARG 8 7.880 -1.911 -9.931 78 H GLY 9 H GLY 9 5.446 -5.552 -12.864 79 HA2 GLY 9 2HA GLY 9 7.616 -4.830 -14.384 80 HA3 GLY 9 3HA GLY 9 7.620 -6.188 -13.269 81 H TRP 10 H TRP 10 5.895 -7.937 -14.504 82 HA TRP 10 HA TRP 10 7.169 -8.418 -17.116 83 HB2 TRP 10 2HB TRP 10 6.922 -10.905 -16.492 84 HB3 TRP 10 3HB TRP 10 8.223 -9.993 -15.732 85 HD1 TRP 10 HD1 TRP 10 5.360 -12.190 -14.907 86 HE1 TRP 10 HE1 TRP 10 4.956 -12.225 -12.366 87 HE3 TRP 10 HE3 TRP 10 8.309 -8.237 -13.562 88 HZ2 TRP 10 HZ2 TRP 10 5.779 -10.770 -10.091 89 HZ3 TRP 10 HZ3 TRP 10 8.446 -7.623 -11.184 90 HH2 TRP 10 HH2 TRP 10 7.206 -8.864 -9.486 91 H GLY 11 H GLY 11 5.341 -11.027 -16.533 92 HA2 GLY 11 2HA GLY 11 2.871 -9.788 -17.574 93 HA3 GLY 11 3HA GLY 11 3.554 -11.226 -18.318 94 H ARG 12 H ARG 12 2.485 -13.001 -17.799 95 HA ARG 12 HA ARG 12 1.452 -13.259 -15.052 96 HB2 ARG 12 2HB ARG 12 -0.327 -14.763 -16.216 97 HB3 ARG 12 3HB ARG 12 -0.519 -13.016 -16.245 98 HG2 ARG 12 2HG ARG 12 0.949 -14.259 -18.496 99 HG3 ARG 12 3HG ARG 12 -0.795 -14.519 -18.411 100 HD2 ARG 12 2HD ARG 12 0.340 -11.768 -18.103 101 HD3 ARG 12 3HD ARG 12 0.141 -12.470 -19.708 102 HE ARG 12 HE ARG 12 -2.253 -12.727 -18.233 103 HH11 ARG 12 1HH1 ARG 12 -0.301 -10.355 -19.871 104 HH12 ARG 12 2HH1 ARG 12 -1.640 -9.319 -20.243 105 HH21 ARG 12 1HH2 ARG 12 -4.023 -11.372 -18.716 106 HH22 ARG 12 2HH2 ARG 12 -3.756 -9.899 -19.584 107 H LYS 13 H LYS 13 2.894 -14.802 -17.839 108 HA LYS 13 HA LYS 13 2.840 -17.463 -17.161 109 HB2 LYS 13 2HB LYS 13 5.243 -17.441 -18.229 110 HB3 LYS 13 3HB LYS 13 3.824 -17.097 -19.210 111 HG2 LYS 13 2HG LYS 13 4.244 -14.753 -19.133 112 HG3 LYS 13 3HG LYS 13 5.520 -14.966 -17.932 113 HD2 LYS 13 2HD LYS 13 6.904 -14.927 -19.699 114 HD3 LYS 13 3HD LYS 13 6.378 -16.594 -19.946 115 HE2 LYS 13 2HE LYS 13 4.443 -14.879 -21.118 116 HE3 LYS 13 3HE LYS 13 6.035 -14.344 -21.654 117 HZ1 LYS 13 1HZ LYS 13 6.472 -16.731 -22.227 118 HZ2 LYS 13 2HZ LYS 13 5.310 -15.961 -23.186 119 HZ3 LYS 13 3HZ LYS 13 4.827 -17.031 -21.968 120 H CYS 14 H CYS 14 4.607 -14.897 -15.646 121 HA CYS 14 HA CYS 14 6.382 -16.664 -14.204 122 HB2 CYS 14 2HB CYS 14 6.383 -13.936 -14.853 123 HB3 CYS 14 3HB CYS 14 6.210 -13.994 -13.103 124 HG CYS 14 HG CYS 14 8.890 -14.502 -14.961 125 HA PRO 15 HA PRO 15 3.578 -17.494 -10.895 126 HB2 PRO 15 2HB PRO 15 5.391 -18.449 -9.114 127 HB3 PRO 15 3HB PRO 15 4.839 -19.376 -10.514 128 HG2 PRO 15 2HG PRO 15 7.350 -17.783 -10.167 129 HG3 PRO 15 3HG PRO 15 7.132 -19.382 -10.902 130 HD2 PRO 15 2HD PRO 15 7.381 -17.124 -12.375 131 HD3 PRO 15 3HD PRO 15 6.394 -18.502 -12.901 132 H LEU 16 H LEU 16 6.547 -15.656 -10.332 133 HA LEU 16 HA LEU 16 6.396 -14.698 -7.854 134 HB2 LEU 16 2HB LEU 16 6.582 -12.507 -9.804 135 HB3 LEU 16 3HB LEU 16 7.697 -12.988 -8.526 136 HG LEU 16 HG LEU 16 7.459 -14.376 -11.194 137 HD11 LEU 16 1HD1 LEU 16 8.852 -11.948 -10.401 138 HD12 LEU 16 2HD1 LEU 16 8.544 -12.607 -12.008 139 HD13 LEU 16 3HD1 LEU 16 9.928 -13.173 -11.073 140 HD21 LEU 16 1HD2 LEU 16 8.458 -15.978 -9.953 141 HD22 LEU 16 2HD2 LEU 16 9.010 -14.839 -8.725 142 HD23 LEU 16 3HD2 LEU 16 9.892 -14.993 -10.245 143 H PHE 17 H PHE 17 4.503 -13.248 -10.507 144 HA PHE 17 HA PHE 17 2.503 -12.437 -8.507 145 HB2 PHE 17 2HB PHE 17 3.793 -10.797 -10.658 146 HB3 PHE 17 3HB PHE 17 2.140 -10.441 -10.169 147 HD1 PHE 17 HD1 PHE 17 2.027 -8.626 -8.783 148 HD2 PHE 17 HD2 PHE 17 5.276 -11.342 -8.352 149 HE1 PHE 17 HE1 PHE 17 2.873 -7.308 -6.885 150 HE2 PHE 17 HE2 PHE 17 6.127 -10.029 -6.454 151 HZ PHE 17 HZ PHE 17 4.925 -8.010 -5.717 152 H GLY 18 H GLY 18 2.882 -14.619 -10.663 153 HA2 GLY 18 2HA GLY 18 1.082 -14.263 -12.753 154 HA3 GLY 18 3HA GLY 18 1.483 -15.816 -12.033 Start of MODEL 7 1 H1 LYS 1 H LYS 1 0.556 -0.291 -0.131 2 HA LYS 1 HA LYS 1 2.582 0.754 -1.973 3 HB2 LYS 1 2HB LYS 1 3.007 -1.162 0.233 4 HB3 LYS 1 3HB LYS 1 3.701 -1.632 -1.314 5 HG2 LYS 1 2HG LYS 1 5.250 0.019 -1.281 6 HG3 LYS 1 3HG LYS 1 4.199 1.141 -0.413 7 HD2 LYS 1 2HD LYS 1 4.551 -0.142 1.650 8 HD3 LYS 1 3HD LYS 1 5.616 -1.246 0.776 9 HE2 LYS 1 2HE LYS 1 7.110 0.643 0.263 10 HE3 LYS 1 3HE LYS 1 6.057 1.711 1.191 11 HZ1 LYS 1 1HZ LYS 1 6.511 0.370 3.159 12 HZ2 LYS 1 2HZ LYS 1 7.940 0.998 2.508 13 HZ3 LYS 1 3HZ LYS 1 7.543 -0.628 2.263 14 H ASN 2 H ASN 2 3.188 -0.903 -3.644 15 HA ASN 2 HA ASN 2 0.771 -2.073 -4.697 16 HB2 ASN 2 2HB ASN 2 3.597 -1.942 -5.765 17 HB3 ASN 2 3HB ASN 2 2.254 -2.674 -6.637 18 HD21 ASN 2 1HD2 ASN 2 0.215 -0.992 -6.251 19 HD22 ASN 2 2HD2 ASN 2 0.570 0.570 -6.898 20 H LYS 3 H LYS 3 0.119 -3.962 -3.896 21 HA LYS 3 HA LYS 3 2.017 -5.931 -2.945 22 HB2 LYS 3 2HB LYS 3 -1.000 -6.054 -3.122 23 HB3 LYS 3 3HB LYS 3 0.027 -7.210 -2.285 24 HG2 LYS 3 2HG LYS 3 0.055 -4.305 -1.559 25 HG3 LYS 3 3HG LYS 3 -1.159 -5.407 -0.905 26 HD2 LYS 3 2HD LYS 3 0.443 -5.578 0.719 27 HD3 LYS 3 3HD LYS 3 0.970 -6.872 -0.360 28 HE2 LYS 3 2HE LYS 3 2.870 -5.808 -0.885 29 HE3 LYS 3 3HE LYS 3 2.057 -4.254 -1.061 30 HZ1 LYS 3 1HZ LYS 3 3.381 -3.870 0.746 31 HZ2 LYS 3 2HZ LYS 3 3.271 -5.455 1.326 32 HZ3 LYS 3 3HZ LYS 3 1.971 -4.390 1.523 33 H SER 4 H SER 4 -0.393 -5.659 -5.533 34 HA SER 4 HA SER 4 0.895 -7.961 -6.850 35 HB2 SER 4 2HB SER 4 -2.017 -7.166 -6.777 36 HB3 SER 4 3HB SER 4 -1.371 -8.300 -7.964 37 HG SER 4 HG SER 4 -1.593 -8.578 -5.173 38 H ARG 5 H ARG 5 -0.276 -4.716 -7.113 39 HA ARG 5 HA ARG 5 -0.468 -4.370 -9.853 40 HB2 ARG 5 2HB ARG 5 0.292 -2.549 -7.600 41 HB3 ARG 5 3HB ARG 5 0.415 -1.976 -9.258 42 HG2 ARG 5 2HG ARG 5 -2.130 -3.259 -8.469 43 HG3 ARG 5 3HG ARG 5 -1.776 -1.672 -7.783 44 HD2 ARG 5 2HD ARG 5 -1.147 -1.652 -10.569 45 HD3 ARG 5 3HD ARG 5 -2.778 -2.285 -10.352 46 HE ARG 5 HE ARG 5 -2.291 0.100 -8.840 47 HH11 ARG 5 1HH1 ARG 5 -3.181 -1.149 -11.965 48 HH12 ARG 5 2HH1 ARG 5 -4.028 0.285 -12.442 49 HH21 ARG 5 1HH2 ARG 5 -3.403 1.993 -9.456 50 HH22 ARG 5 2HH2 ARG 5 -4.153 2.072 -11.015 51 H VAL 6 H VAL 6 2.347 -4.776 -7.865 52 HA VAL 6 HA VAL 6 4.301 -3.688 -9.562 53 HB VAL 6 HB VAL 6 4.724 -6.081 -7.779 54 HG11 VAL 6 1HG1 VAL 6 6.603 -5.529 -9.200 55 HG12 VAL 6 2HG1 VAL 6 6.538 -3.844 -8.677 56 HG13 VAL 6 3HG1 VAL 6 6.976 -5.109 -7.528 57 HG21 VAL 6 1HG2 VAL 6 5.298 -4.361 -6.025 58 HG22 VAL 6 2HG2 VAL 6 4.505 -3.167 -7.052 59 HG23 VAL 6 3HG2 VAL 6 3.583 -4.523 -6.402 60 H ALA 7 H ALA 7 2.368 -6.470 -9.897 61 HA ALA 7 HA ALA 7 3.941 -8.293 -11.226 62 HB1 ALA 7 1HB ALA 7 1.471 -8.448 -10.595 63 HB2 ALA 7 2HB ALA 7 1.153 -7.668 -12.145 64 HB3 ALA 7 3HB ALA 7 1.977 -9.227 -12.094 65 H ARG 8 H ARG 8 2.914 -5.173 -12.290 66 HA ARG 8 HA ARG 8 2.934 -5.350 -15.028 67 HB2 ARG 8 2HB ARG 8 3.918 -2.983 -14.942 68 HB3 ARG 8 3HB ARG 8 2.385 -3.257 -14.124 69 HG2 ARG 8 2HG ARG 8 3.227 -2.616 -12.177 70 HG3 ARG 8 3HG ARG 8 4.597 -3.717 -12.337 71 HD2 ARG 8 2HD ARG 8 5.692 -1.708 -12.309 72 HD3 ARG 8 3HD ARG 8 5.433 -1.897 -14.042 73 HE ARG 8 HE ARG 8 3.995 -0.111 -13.994 74 HH11 ARG 8 1HH1 ARG 8 4.622 -1.182 -10.741 75 HH12 ARG 8 2HH1 ARG 8 3.836 0.175 -10.004 76 HH21 ARG 8 1HH2 ARG 8 2.958 1.680 -13.035 77 HH22 ARG 8 2HH2 ARG 8 2.890 1.802 -11.309 78 H GLY 9 H GLY 9 5.595 -5.693 -12.843 79 HA2 GLY 9 2HA GLY 9 7.798 -5.044 -14.349 80 HA3 GLY 9 3HA GLY 9 7.755 -6.391 -13.220 81 H TRP 10 H TRP 10 5.996 -8.106 -14.454 82 HA TRP 10 HA TRP 10 7.280 -8.646 -17.049 83 HB2 TRP 10 2HB TRP 10 6.963 -11.119 -16.403 84 HB3 TRP 10 3HB TRP 10 8.281 -10.234 -15.640 85 HD1 TRP 10 HD1 TRP 10 5.354 -12.347 -14.820 86 HE1 TRP 10 HE1 TRP 10 4.927 -12.346 -12.282 87 HE3 TRP 10 HE3 TRP 10 8.394 -8.459 -13.488 88 HZ2 TRP 10 HZ2 TRP 10 5.768 -10.890 -10.015 89 HZ3 TRP 10 HZ3 TRP 10 8.525 -7.825 -11.114 90 HH2 TRP 10 HH2 TRP 10 7.238 -9.016 -9.415 91 H GLY 11 H GLY 11 5.379 -11.201 -16.457 92 HA2 GLY 11 2HA GLY 11 2.953 -9.908 -17.534 93 HA3 GLY 11 3HA GLY 11 3.604 -11.371 -18.256 94 H ARG 12 H ARG 12 2.482 -13.112 -17.727 95 HA ARG 12 HA ARG 12 1.419 -13.312 -14.987 96 HB2 ARG 12 2HB ARG 12 -0.392 -14.778 -16.149 97 HB3 ARG 12 3HB ARG 12 -0.534 -13.026 -16.202 98 HG2 ARG 12 2HG ARG 12 0.940 -14.284 -18.426 99 HG3 ARG 12 3HG ARG 12 -0.795 -14.597 -18.351 100 HD2 ARG 12 2HD ARG 12 0.434 -11.847 -18.235 101 HD3 ARG 12 3HD ARG 12 -0.150 -12.604 -19.717 102 HE ARG 12 HE ARG 12 -2.191 -12.649 -17.785 103 HH11 ARG 12 1HH1 ARG 12 -0.455 -10.417 -19.815 104 HH12 ARG 12 2HH1 ARG 12 -1.767 -9.290 -19.921 105 HH21 ARG 12 1HH2 ARG 12 -3.926 -11.174 -17.917 106 HH22 ARG 12 2HH2 ARG 12 -3.741 -9.722 -18.841 107 H LYS 13 H LYS 13 2.841 -14.924 -17.746 108 HA LYS 13 HA LYS 13 2.709 -17.574 -17.040 109 HB2 LYS 13 2HB LYS 13 5.121 -17.629 -18.088 110 HB3 LYS 13 3HB LYS 13 3.720 -17.258 -19.084 111 HG2 LYS 13 2HG LYS 13 4.202 -14.925 -19.026 112 HG3 LYS 13 3HG LYS 13 5.465 -15.162 -17.815 113 HD2 LYS 13 2HD LYS 13 6.847 -15.156 -19.590 114 HD3 LYS 13 3HD LYS 13 6.310 -16.825 -19.789 115 HE2 LYS 13 2HE LYS 13 5.222 -16.353 -21.684 116 HE3 LYS 13 3HE LYS 13 4.491 -14.903 -20.999 117 HZ1 LYS 13 1HZ LYS 13 7.210 -15.129 -22.168 118 HZ2 LYS 13 2HZ LYS 13 6.613 -13.747 -21.398 119 HZ3 LYS 13 3HZ LYS 13 5.892 -14.297 -22.826 120 H CYS 14 H CYS 14 4.533 -15.042 -15.537 121 HA CYS 14 HA CYS 14 6.248 -16.840 -14.062 122 HB2 CYS 14 2HB CYS 14 6.326 -14.120 -14.739 123 HB3 CYS 14 3HB CYS 14 6.138 -14.156 -12.990 124 HG CYS 14 HG CYS 14 8.832 -14.657 -14.783 125 HA PRO 15 HA PRO 15 3.395 -17.561 -10.769 126 HB2 PRO 15 2HB PRO 15 5.167 -18.545 -8.963 127 HB3 PRO 15 3HB PRO 15 4.603 -19.472 -10.358 128 HG2 PRO 15 2HG PRO 15 7.151 -17.942 -10.006 129 HG3 PRO 15 3HG PRO 15 6.898 -19.543 -10.726 130 HD2 PRO 15 2HD PRO 15 7.219 -17.307 -12.220 131 HD3 PRO 15 3HD PRO 15 6.200 -18.664 -12.740 132 H LEU 16 H LEU 16 6.407 -15.797 -10.200 133 HA LEU 16 HA LEU 16 6.260 -14.809 -7.732 134 HB2 LEU 16 2HB LEU 16 6.522 -12.644 -9.702 135 HB3 LEU 16 3HB LEU 16 7.613 -13.142 -8.411 136 HG LEU 16 HG LEU 16 7.360 -14.549 -11.067 137 HD11 LEU 16 1HD1 LEU 16 9.860 -13.412 -10.933 138 HD12 LEU 16 2HD1 LEU 16 8.810 -12.152 -10.286 139 HD13 LEU 16 3HD1 LEU 16 8.500 -12.820 -11.888 140 HD21 LEU 16 1HD2 LEU 16 9.766 -15.225 -10.093 141 HD22 LEU 16 2HD2 LEU 16 8.303 -16.166 -9.800 142 HD23 LEU 16 3HD2 LEU 16 8.880 -15.029 -8.581 143 H PHE 17 H PHE 17 4.429 -13.338 -10.417 144 HA PHE 17 HA PHE 17 2.436 -12.452 -8.443 145 HB2 PHE 17 2HB PHE 17 3.786 -10.871 -10.600 146 HB3 PHE 17 3HB PHE 17 2.140 -10.465 -10.128 147 HD1 PHE 17 HD1 PHE 17 2.067 -8.631 -8.764 148 HD2 PHE 17 HD2 PHE 17 5.234 -11.432 -8.275 149 HE1 PHE 17 HE1 PHE 17 2.932 -7.316 -6.873 150 HE2 PHE 17 HE2 PHE 17 6.105 -10.122 -6.383 151 HZ PHE 17 HZ PHE 17 4.953 -8.062 -5.679 152 H GLY 18 H GLY 18 2.774 -14.666 -10.573 153 HA2 GLY 18 2HA GLY 18 0.062 -14.344 -11.656 154 HA3 GLY 18 3HA GLY 18 1.375 -14.715 -12.764 Start of MODEL 8 1 H1 LYS 1 H LYS 1 0.265 0.101 -0.374 2 HA LYS 1 HA LYS 1 2.575 0.782 -2.052 3 HB2 LYS 1 2HB LYS 1 2.764 -0.558 0.403 4 HB3 LYS 1 3HB LYS 1 2.907 -1.814 -0.819 5 HG2 LYS 1 2HG LYS 1 5.087 -1.244 -0.680 6 HG3 LYS 1 3HG LYS 1 4.591 -0.037 -1.868 7 HD2 LYS 1 2HD LYS 1 5.580 1.392 -0.426 8 HD3 LYS 1 3HD LYS 1 4.032 1.284 0.416 9 HE2 LYS 1 2HE LYS 1 5.177 0.612 2.204 10 HE3 LYS 1 3HE LYS 1 5.470 -0.899 1.344 11 HZ1 LYS 1 1HZ LYS 1 7.602 -0.327 1.714 12 HZ2 LYS 1 2HZ LYS 1 7.271 1.326 1.850 13 HZ3 LYS 1 3HZ LYS 1 7.394 0.611 0.321 14 H ASN 2 H ASN 2 3.144 -1.015 -3.565 15 HA ASN 2 HA ASN 2 0.690 -2.108 -4.689 16 HB2 ASN 2 2HB ASN 2 3.512 -1.937 -5.763 17 HB3 ASN 2 3HB ASN 2 2.175 -2.684 -6.633 18 HD21 ASN 2 1HD2 ASN 2 3.722 -0.477 -7.511 19 HD22 ASN 2 2HD2 ASN 2 2.661 0.879 -7.661 20 H LYS 3 H LYS 3 0.068 -4.009 -3.892 21 HA LYS 3 HA LYS 3 2.001 -5.949 -2.950 22 HB2 LYS 3 2HB LYS 3 -1.015 -6.109 -3.098 23 HB3 LYS 3 3HB LYS 3 0.033 -7.256 -2.275 24 HG2 LYS 3 2HG LYS 3 0.033 -4.352 -1.542 25 HG3 LYS 3 3HG LYS 3 -1.158 -5.473 -0.877 26 HD2 LYS 3 2HD LYS 3 0.389 -6.587 0.377 27 HD3 LYS 3 3HD LYS 3 1.698 -6.277 -0.766 28 HE2 LYS 3 2HE LYS 3 2.295 -4.370 0.258 29 HE3 LYS 3 3HE LYS 3 0.623 -3.871 0.511 30 HZ1 LYS 3 1HZ LYS 3 0.855 -5.922 2.225 31 HZ2 LYS 3 2HZ LYS 3 1.079 -4.299 2.645 32 HZ3 LYS 3 3HZ LYS 3 2.416 -5.273 2.289 33 H SER 4 H SER 4 -0.432 -5.708 -5.518 34 HA SER 4 HA SER 4 0.868 -7.998 -6.842 35 HB2 SER 4 2HB SER 4 -2.050 -7.220 -6.774 36 HB3 SER 4 3HB SER 4 -1.393 -8.369 -7.940 37 HG SER 4 HG SER 4 -1.195 -9.822 -6.410 38 H ARG 5 H ARG 5 -0.336 -4.763 -7.103 39 HA ARG 5 HA ARG 5 -0.536 -4.424 -9.845 40 HB2 ARG 5 2HB ARG 5 -0.761 -2.781 -7.693 41 HB3 ARG 5 3HB ARG 5 0.748 -2.202 -8.388 42 HG2 ARG 5 2HG ARG 5 -0.275 -1.260 -10.147 43 HG3 ARG 5 3HG ARG 5 -1.426 -2.587 -10.319 44 HD2 ARG 5 2HD ARG 5 -2.821 -0.885 -9.666 45 HD3 ARG 5 3HD ARG 5 -2.422 -1.605 -8.106 46 HE ARG 5 HE ARG 5 -0.571 0.430 -8.702 47 HH11 ARG 5 1HH1 ARG 5 -3.909 -0.010 -7.812 48 HH12 ARG 5 2HH1 ARG 5 -4.034 1.524 -7.016 49 HH21 ARG 5 1HH2 ARG 5 -0.724 2.451 -7.657 50 HH22 ARG 5 2HH2 ARG 5 -2.222 2.923 -6.929 51 H VAL 6 H VAL 6 2.283 -4.804 -7.861 52 HA VAL 6 HA VAL 6 4.224 -3.688 -9.557 53 HB VAL 6 HB VAL 6 4.678 -6.075 -7.773 54 HG11 VAL 6 1HG1 VAL 6 6.916 -5.061 -7.519 55 HG12 VAL 6 2HG1 VAL 6 6.553 -5.504 -9.188 56 HG13 VAL 6 3HG1 VAL 6 6.459 -3.817 -8.682 57 HG21 VAL 6 1HG2 VAL 6 5.226 -4.350 -6.017 58 HG22 VAL 6 2HG2 VAL 6 4.424 -3.163 -7.046 59 HG23 VAL 6 3HG2 VAL 6 3.513 -4.528 -6.399 60 H ALA 7 H ALA 7 2.320 -6.486 -9.899 61 HA ALA 7 HA ALA 7 3.914 -8.295 -11.222 62 HB1 ALA 7 1HB ALA 7 1.964 -9.253 -12.084 63 HB2 ALA 7 2HB ALA 7 1.436 -8.461 -10.599 64 HB3 ALA 7 3HB ALA 7 1.127 -7.703 -12.161 65 H ARG 8 H ARG 8 2.860 -5.185 -12.289 66 HA ARG 8 HA ARG 8 2.891 -5.363 -15.028 67 HB2 ARG 8 2HB ARG 8 3.850 -2.985 -14.937 68 HB3 ARG 8 3HB ARG 8 2.316 -3.275 -14.128 69 HG2 ARG 8 2HG ARG 8 3.141 -2.628 -12.175 70 HG3 ARG 8 3HG ARG 8 4.526 -3.711 -12.330 71 HD2 ARG 8 2HD ARG 8 5.259 -1.400 -12.138 72 HD3 ARG 8 3HD ARG 8 5.662 -2.052 -13.726 73 HE ARG 8 HE ARG 8 4.249 -0.520 -14.678 74 HH11 ARG 8 1HH1 ARG 8 3.637 -0.677 -11.255 75 HH12 ARG 8 2HH1 ARG 8 2.573 0.691 -11.250 76 HH21 ARG 8 1HH2 ARG 8 2.850 1.282 -14.685 77 HH22 ARG 8 2HH2 ARG 8 2.126 1.804 -13.202 78 H GLY 9 H GLY 9 5.548 -5.678 -12.833 79 HA2 GLY 9 2HA GLY 9 7.748 -5.007 -14.333 80 HA3 GLY 9 3HA GLY 9 7.716 -6.351 -13.202 81 H TRP 10 H TRP 10 5.974 -8.084 -14.442 82 HA TRP 10 HA TRP 10 7.276 -8.617 -17.030 83 HB2 TRP 10 2HB TRP 10 6.977 -11.093 -16.381 84 HB3 TRP 10 3HB TRP 10 8.284 -10.195 -15.614 85 HD1 TRP 10 HD1 TRP 10 5.362 -12.324 -14.804 86 HE1 TRP 10 HE1 TRP 10 4.928 -12.325 -12.267 87 HE3 TRP 10 HE3 TRP 10 8.384 -8.425 -13.462 88 HZ2 TRP 10 HZ2 TRP 10 5.756 -10.866 -9.998 89 HZ3 TRP 10 HZ3 TRP 10 8.507 -7.791 -11.088 90 HH2 TRP 10 HH2 TRP 10 7.219 -8.987 -9.393 91 H GLY 11 H GLY 11 5.393 -11.187 -16.440 92 HA2 GLY 11 2HA GLY 11 2.965 -9.917 -17.540 93 HA3 GLY 11 3HA GLY 11 3.629 -11.384 -18.243 94 H ARG 12 H ARG 12 2.513 -13.125 -17.705 95 HA ARG 12 HA ARG 12 1.440 -13.310 -14.968 96 HB2 ARG 12 2HB ARG 12 -0.368 -14.783 -16.126 97 HB3 ARG 12 3HB ARG 12 -0.512 -13.031 -16.184 98 HG2 ARG 12 2HG ARG 12 0.938 -14.360 -18.401 99 HG3 ARG 12 3HG ARG 12 -0.815 -14.551 -18.330 100 HD2 ARG 12 2HD ARG 12 -0.733 -11.941 -17.951 101 HD3 ARG 12 3HD ARG 12 0.820 -12.103 -18.770 102 HE ARG 12 HE ARG 12 -1.055 -13.472 -20.292 103 HH11 ARG 12 1HH1 ARG 12 -0.436 -10.206 -19.258 104 HH12 ARG 12 2HH1 ARG 12 -1.163 -9.486 -20.657 105 HH21 ARG 12 1HH2 ARG 12 -2.015 -12.537 -22.138 106 HH22 ARG 12 2HH2 ARG 12 -2.062 -10.814 -22.294 107 H LYS 13 H LYS 13 2.854 -14.940 -17.722 108 HA LYS 13 HA LYS 13 2.724 -17.585 -16.989 109 HB2 LYS 13 2HB LYS 13 5.127 -17.648 -18.061 110 HB3 LYS 13 3HB LYS 13 3.713 -17.296 -19.046 111 HG2 LYS 13 2HG LYS 13 4.188 -14.962 -19.029 112 HG3 LYS 13 3HG LYS 13 5.461 -15.174 -17.825 113 HD2 LYS 13 2HD LYS 13 6.834 -15.197 -19.605 114 HD3 LYS 13 3HD LYS 13 6.289 -16.866 -19.789 115 HE2 LYS 13 2HE LYS 13 4.362 -15.195 -21.017 116 HE3 LYS 13 3HE LYS 13 5.950 -14.662 -21.566 117 HZ1 LYS 13 1HZ LYS 13 5.203 -17.519 -21.588 118 HZ2 LYS 13 2HZ LYS 13 6.416 -16.737 -22.470 119 HZ3 LYS 13 3HZ LYS 13 4.791 -16.498 -22.873 120 H CYS 14 H CYS 14 4.555 -15.036 -15.526 121 HA CYS 14 HA CYS 14 6.307 -16.805 -14.065 122 HB2 CYS 14 2HB CYS 14 6.322 -14.080 -14.732 123 HB3 CYS 14 3HB CYS 14 6.155 -14.128 -12.981 124 HG CYS 14 HG CYS 14 8.846 -14.496 -14.775 125 HA PRO 15 HA PRO 15 3.498 -17.596 -10.750 126 HB2 PRO 15 2HB PRO 15 5.306 -18.559 -8.968 127 HB3 PRO 15 3HB PRO 15 4.743 -19.487 -10.363 128 HG2 PRO 15 2HG PRO 15 7.269 -17.915 -10.027 129 HG3 PRO 15 3HG PRO 15 7.035 -19.516 -10.754 130 HD2 PRO 15 2HD PRO 15 7.303 -17.267 -12.238 131 HD3 PRO 15 3HD PRO 15 6.302 -18.639 -12.755 132 H LEU 16 H LEU 16 6.478 -15.771 -10.213 133 HA LEU 16 HA LEU 16 6.347 -14.802 -7.736 134 HB2 LEU 16 2HB LEU 16 6.535 -12.625 -9.702 135 HB3 LEU 16 3HB LEU 16 7.650 -13.099 -8.422 136 HG LEU 16 HG LEU 16 7.403 -14.498 -11.084 137 HD11 LEU 16 1HD1 LEU 16 8.530 -12.766 -11.908 138 HD12 LEU 16 2HD1 LEU 16 9.891 -13.311 -10.928 139 HD13 LEU 16 3HD1 LEU 16 8.797 -12.075 -10.307 140 HD21 LEU 16 1HD2 LEU 16 8.947 -14.971 -8.610 141 HD22 LEU 16 2HD2 LEU 16 9.826 -15.144 -10.130 142 HD23 LEU 16 3HD2 LEU 16 8.379 -16.109 -9.833 143 H PHE 17 H PHE 17 4.436 -13.375 -10.388 144 HA PHE 17 HA PHE 17 2.468 -12.516 -8.375 145 HB2 PHE 17 2HB PHE 17 3.729 -10.934 -10.585 146 HB3 PHE 17 3HB PHE 17 2.083 -10.562 -10.084 147 HD1 PHE 17 HD1 PHE 17 2.015 -8.689 -8.771 148 HD2 PHE 17 HD2 PHE 17 5.217 -11.446 -8.258 149 HE1 PHE 17 HE1 PHE 17 2.888 -7.325 -6.919 150 HE2 PHE 17 HE2 PHE 17 6.095 -10.086 -6.404 151 HZ PHE 17 HZ PHE 17 4.929 -8.023 -5.732 152 H GLY 18 H GLY 18 2.820 -14.738 -10.511 153 HA2 GLY 18 2HA GLY 18 1.495 -15.862 -12.018 154 HA3 GLY 18 3HA GLY 18 0.168 -15.240 -11.049 Start of MODEL 9 1 H1 LYS 1 H LYS 1 0.623 0.218 0.305 2 HA LYS 1 HA LYS 1 2.651 0.885 -1.706 3 HB2 LYS 1 2HB LYS 1 2.465 -1.093 0.497 4 HB3 LYS 1 3HB LYS 1 3.328 -1.605 -0.947 5 HG2 LYS 1 2HG LYS 1 4.272 0.967 -0.359 6 HG3 LYS 1 3HG LYS 1 4.197 0.104 1.179 7 HD2 LYS 1 2HD LYS 1 5.428 -1.781 0.074 8 HD3 LYS 1 3HD LYS 1 5.649 -0.731 -1.328 9 HE2 LYS 1 2HE LYS 1 6.744 0.925 0.198 10 HE3 LYS 1 3HE LYS 1 6.672 -0.291 1.473 11 HZ1 LYS 1 1HZ LYS 1 8.293 -0.272 -0.981 12 HZ2 LYS 1 2HZ LYS 1 7.877 -1.749 -0.270 13 HZ3 LYS 1 3HZ LYS 1 8.763 -0.608 0.609 14 H ASN 2 H ASN 2 3.226 -1.239 -3.045 15 HA ASN 2 HA ASN 2 0.710 -2.040 -4.335 16 HB2 ASN 2 2HB ASN 2 3.541 -1.924 -5.393 17 HB3 ASN 2 3HB ASN 2 2.184 -2.592 -6.294 18 HD21 ASN 2 1HD2 ASN 2 0.181 -0.924 -5.958 19 HD22 ASN 2 2HD2 ASN 2 0.571 0.670 -6.499 20 H LYS 3 H LYS 3 0.023 -3.943 -3.593 21 HA LYS 3 HA LYS 3 1.871 -5.975 -2.694 22 HB2 LYS 3 2HB LYS 3 -1.136 -6.112 -2.975 23 HB3 LYS 3 3HB LYS 3 -0.119 -7.238 -2.085 24 HG2 LYS 3 2HG LYS 3 -0.692 -4.363 -1.423 25 HG3 LYS 3 3HG LYS 3 -1.146 -5.800 -0.504 26 HD2 LYS 3 2HD LYS 3 1.639 -4.729 -0.947 27 HD3 LYS 3 3HD LYS 3 0.734 -4.744 0.569 28 HE2 LYS 3 2HE LYS 3 0.668 -7.271 0.330 29 HE3 LYS 3 3HE LYS 3 1.863 -7.081 -0.952 30 HZ1 LYS 3 1HZ LYS 3 2.799 -5.604 1.179 31 HZ2 LYS 3 2HZ LYS 3 3.399 -7.085 0.626 32 HZ3 LYS 3 3HZ LYS 3 2.239 -7.049 1.857 33 H SER 4 H SER 4 -0.483 -5.593 -5.322 34 HA SER 4 HA SER 4 0.831 -7.843 -6.702 35 HB2 SER 4 2HB SER 4 -2.085 -7.048 -6.683 36 HB3 SER 4 3HB SER 4 -1.401 -8.174 -7.856 37 HG SER 4 HG SER 4 -2.138 -8.615 -5.299 38 H ARG 5 H ARG 5 -0.306 -4.585 -6.848 39 HA ARG 5 HA ARG 5 -0.475 -4.128 -9.576 40 HB2 ARG 5 2HB ARG 5 -0.681 -2.571 -7.358 41 HB3 ARG 5 3HB ARG 5 0.845 -1.999 -8.017 42 HG2 ARG 5 2HG ARG 5 -0.142 -0.957 -9.738 43 HG3 ARG 5 3HG ARG 5 -1.315 -2.253 -9.982 44 HD2 ARG 5 2HD ARG 5 -2.414 -1.398 -7.829 45 HD3 ARG 5 3HD ARG 5 -1.426 0.045 -8.055 46 HE ARG 5 HE ARG 5 -3.751 -0.719 -9.563 47 HH11 ARG 5 1HH1 ARG 5 -0.806 1.136 -9.583 48 HH12 ARG 5 2HH1 ARG 5 -1.359 2.246 -10.792 49 HH21 ARG 5 1HH2 ARG 5 -4.492 0.736 -11.156 50 HH22 ARG 5 2HH2 ARG 5 -3.456 2.018 -11.686 51 H VAL 6 H VAL 6 2.315 -4.659 -7.587 52 HA VAL 6 HA VAL 6 4.292 -3.520 -9.234 53 HB VAL 6 HB VAL 6 4.684 -5.962 -7.510 54 HG11 VAL 6 1HG1 VAL 6 6.942 -4.996 -7.214 55 HG12 VAL 6 2HG1 VAL 6 6.583 -5.406 -8.893 56 HG13 VAL 6 3HG1 VAL 6 6.519 -3.725 -8.361 57 HG21 VAL 6 1HG2 VAL 6 4.517 -3.064 -6.707 58 HG22 VAL 6 2HG2 VAL 6 3.533 -4.405 -6.121 59 HG23 VAL 6 3HG2 VAL 6 5.242 -4.316 -5.698 60 H ALA 7 H ALA 7 2.331 -6.259 -9.678 61 HA ALA 7 HA ALA 7 3.900 -8.069 -11.034 62 HB1 ALA 7 1HB ALA 7 1.934 -8.944 -11.967 63 HB2 ALA 7 2HB ALA 7 1.425 -8.220 -10.441 64 HB3 ALA 7 3HB ALA 7 1.129 -7.374 -11.960 65 H ARG 8 H ARG 8 2.937 -4.904 -12.018 66 HA ARG 8 HA ARG 8 2.989 -5.003 -14.761 67 HB2 ARG 8 2HB ARG 8 4.012 -2.655 -14.591 68 HB3 ARG 8 3HB ARG 8 2.462 -2.927 -13.806 69 HG2 ARG 8 2HG ARG 8 3.281 -2.366 -11.824 70 HG3 ARG 8 3HG ARG 8 4.643 -3.474 -12.002 71 HD2 ARG 8 2HD ARG 8 5.617 -1.351 -11.794 72 HD3 ARG 8 3HD ARG 8 5.670 -1.706 -13.520 73 HE ARG 8 HE ARG 8 3.317 -0.324 -13.073 74 HH11 ARG 8 1HH1 ARG 8 6.734 0.246 -12.726 75 HH12 ARG 8 2HH1 ARG 8 6.609 1.953 -12.995 76 HH21 ARG 8 1HH2 ARG 8 3.139 1.922 -13.429 77 HH22 ARG 8 2HH2 ARG 8 4.564 2.906 -13.394 78 H GLY 9 H GLY 9 5.616 -5.453 -12.554 79 HA2 GLY 9 2HA GLY 9 7.848 -4.797 -14.012 80 HA3 GLY 9 3HA GLY 9 7.768 -6.175 -12.925 81 H TRP 10 H TRP 10 6.000 -7.825 -14.230 82 HA TRP 10 HA TRP 10 7.307 -8.308 -16.825 83 HB2 TRP 10 2HB TRP 10 6.944 -10.794 -16.257 84 HB3 TRP 10 3HB TRP 10 8.266 -9.953 -15.452 85 HD1 TRP 10 HD1 TRP 10 5.298 -12.044 -14.730 86 HE1 TRP 10 HE1 TRP 10 4.841 -12.111 -12.198 87 HE3 TRP 10 HE3 TRP 10 8.379 -8.243 -13.247 88 HZ2 TRP 10 HZ2 TRP 10 5.675 -10.735 -9.879 89 HZ3 TRP 10 HZ3 TRP 10 8.491 -7.681 -10.854 90 HH2 TRP 10 HH2 TRP 10 7.165 -8.902 -9.207 91 H GLY 11 H GLY 11 5.360 -10.849 -16.330 92 HA2 GLY 11 2HA GLY 11 2.967 -9.487 -17.398 93 HA3 GLY 11 3HA GLY 11 3.604 -10.940 -18.154 94 H ARG 12 H ARG 12 2.447 -12.675 -17.689 95 HA ARG 12 HA ARG 12 1.348 -12.937 -14.968 96 HB2 ARG 12 2HB ARG 12 -0.472 -14.339 -16.194 97 HB3 ARG 12 3HB ARG 12 -0.586 -12.584 -16.196 98 HG2 ARG 12 2HG ARG 12 -0.017 -12.412 -18.421 99 HG3 ARG 12 3HG ARG 12 0.807 -13.973 -18.438 100 HD2 ARG 12 2HD ARG 12 -1.687 -14.775 -17.838 101 HD3 ARG 12 3HD ARG 12 -2.055 -13.327 -18.775 102 HE ARG 12 HE ARG 12 -0.151 -14.922 -20.128 103 HH11 ARG 12 1HH1 ARG 12 -3.535 -14.783 -19.327 104 HH12 ARG 12 2HH1 ARG 12 -4.035 -15.694 -20.713 105 HH21 ARG 12 1HH2 ARG 12 -0.796 -16.123 -21.958 106 HH22 ARG 12 2HH2 ARG 12 -2.476 -16.456 -22.208 107 H LYS 13 H LYS 13 2.774 -14.493 -17.757 108 HA LYS 13 HA LYS 13 2.591 -17.159 -17.130 109 HB2 LYS 13 2HB LYS 13 5.016 -17.222 -18.149 110 HB3 LYS 13 3HB LYS 13 3.633 -16.804 -19.151 111 HG2 LYS 13 2HG LYS 13 4.148 -14.481 -19.026 112 HG3 LYS 13 3HG LYS 13 5.389 -14.767 -17.804 113 HD2 LYS 13 2HD LYS 13 6.794 -14.728 -19.562 114 HD3 LYS 13 3HD LYS 13 6.247 -16.389 -19.804 115 HE2 LYS 13 2HE LYS 13 5.346 -15.850 -21.762 116 HE3 LYS 13 3HE LYS 13 4.384 -14.579 -21.009 117 HZ1 LYS 13 1HZ LYS 13 5.707 -13.034 -21.858 118 HZ2 LYS 13 2HZ LYS 13 6.454 -14.240 -22.779 119 HZ3 LYS 13 3HZ LYS 13 7.104 -13.794 -21.282 120 H CYS 14 H CYS 14 4.439 -14.702 -15.533 121 HA CYS 14 HA CYS 14 6.105 -16.572 -14.091 122 HB2 CYS 14 2HB CYS 14 6.239 -13.835 -14.688 123 HB3 CYS 14 3HB CYS 14 6.029 -13.917 -12.943 124 HG CYS 14 HG CYS 14 8.632 -14.976 -14.834 125 HA PRO 15 HA PRO 15 3.200 -17.336 -10.853 126 HB2 PRO 15 2HB PRO 15 4.933 -18.404 -9.057 127 HB3 PRO 15 3HB PRO 15 4.368 -19.280 -10.485 128 HG2 PRO 15 2HG PRO 15 6.940 -17.807 -10.059 129 HG3 PRO 15 3HG PRO 15 6.666 -19.381 -10.829 130 HD2 PRO 15 2HD PRO 15 7.045 -17.110 -12.253 131 HD3 PRO 15 3HD PRO 15 6.008 -18.433 -12.824 132 H LEU 16 H LEU 16 6.236 -15.643 -10.199 133 HA LEU 16 HA LEU 16 6.078 -14.725 -7.706 134 HB2 LEU 16 2HB LEU 16 6.400 -12.509 -9.609 135 HB3 LEU 16 3HB LEU 16 7.467 -13.063 -8.320 136 HG LEU 16 HG LEU 16 7.221 -14.389 -11.019 137 HD11 LEU 16 1HD1 LEU 16 9.739 -13.299 -10.821 138 HD12 LEU 16 2HD1 LEU 16 8.701 -12.040 -10.154 139 HD13 LEU 16 3HD1 LEU 16 8.403 -12.659 -11.778 140 HD21 LEU 16 1HD2 LEU 16 9.601 -15.139 -10.043 141 HD22 LEU 16 2HD2 LEU 16 8.117 -16.057 -9.784 142 HD23 LEU 16 3HD2 LEU 16 8.708 -14.964 -8.532 143 H PHE 17 H PHE 17 4.305 -13.144 -10.367 144 HA PHE 17 HA PHE 17 2.305 -12.279 -8.389 145 HB2 PHE 17 2HB PHE 17 3.706 -10.662 -10.486 146 HB3 PHE 17 3HB PHE 17 2.062 -10.241 -10.020 147 HD1 PHE 17 HD1 PHE 17 5.115 -11.318 -8.160 148 HD2 PHE 17 HD2 PHE 17 2.009 -8.443 -8.607 149 HE1 PHE 17 HE1 PHE 17 5.989 -10.079 -6.222 150 HE2 PHE 17 HE2 PHE 17 2.878 -7.198 -6.671 151 HZ PHE 17 HZ PHE 17 4.871 -8.015 -5.476 152 H GLY 18 H GLY 18 2.629 -14.437 -10.579 153 HA2 GLY 18 2HA GLY 18 -0.069 -14.046 -11.670 154 HA3 GLY 18 3HA GLY 18 1.245 -14.388 -12.785 Start of MODEL 10 1 H1 LYS 1 H LYS 1 1.082 0.394 0.298 2 HA LYS 1 HA LYS 1 2.376 1.169 -2.100 3 HB2 LYS 1 2HB LYS 1 3.106 -0.239 0.138 4 HB3 LYS 1 3HB LYS 1 3.029 -1.506 -1.080 5 HG2 LYS 1 2HG LYS 1 4.962 -0.871 -1.952 6 HG3 LYS 1 3HG LYS 1 4.403 0.795 -2.117 7 HD2 LYS 1 2HD LYS 1 4.876 0.990 0.400 8 HD3 LYS 1 3HD LYS 1 5.801 -0.501 0.203 9 HE2 LYS 1 2HE LYS 1 7.171 0.588 -1.514 10 HE3 LYS 1 3HE LYS 1 6.251 2.077 -1.301 11 HZ1 LYS 1 1HZ LYS 1 7.210 2.492 0.716 12 HZ2 LYS 1 2HZ LYS 1 8.498 1.721 -0.063 13 HZ3 LYS 1 3HZ LYS 1 7.542 0.865 1.039 14 H ASN 2 H ASN 2 3.152 -1.051 -3.422 15 HA ASN 2 HA ASN 2 0.644 -1.950 -4.658 16 HB2 ASN 2 2HB ASN 2 3.464 -1.813 -5.743 17 HB3 ASN 2 3HB ASN 2 2.109 -2.524 -6.615 18 HD21 ASN 2 1HD2 ASN 2 0.084 -0.879 -6.302 19 HD22 ASN 2 2HD2 ASN 2 0.444 0.707 -6.886 20 H LYS 3 H LYS 3 0.001 -3.845 -3.857 21 HA LYS 3 HA LYS 3 1.894 -5.815 -2.919 22 HB2 LYS 3 2HB LYS 3 -1.111 -6.026 -3.177 23 HB3 LYS 3 3HB LYS 3 -0.063 -7.098 -2.257 24 HG2 LYS 3 2HG LYS 3 -0.731 -4.227 -1.682 25 HG3 LYS 3 3HG LYS 3 -1.096 -5.650 -0.704 26 HD2 LYS 3 2HD LYS 3 1.627 -4.470 -1.249 27 HD3 LYS 3 3HD LYS 3 0.754 -4.462 0.286 28 HE2 LYS 3 2HE LYS 3 1.813 -6.879 -1.175 29 HE3 LYS 3 3HE LYS 3 2.460 -6.181 0.309 30 HZ1 LYS 3 1HZ LYS 3 0.290 -8.000 -0.036 31 HZ2 LYS 3 2HZ LYS 3 -0.180 -6.641 0.855 32 HZ3 LYS 3 3HZ LYS 3 1.127 -7.581 1.373 33 H SER 4 H SER 4 -0.485 -5.553 -5.539 34 HA SER 4 HA SER 4 0.866 -7.812 -6.867 35 HB2 SER 4 2HB SER 4 -2.065 -7.078 -6.843 36 HB3 SER 4 3HB SER 4 -1.368 -8.216 -7.997 37 HG SER 4 HG SER 4 -1.857 -8.505 -5.283 38 H ARG 5 H ARG 5 -0.336 -4.583 -7.092 39 HA ARG 5 HA ARG 5 -0.535 -4.203 -9.830 40 HB2 ARG 5 2HB ARG 5 -0.755 -2.591 -7.652 41 HB3 ARG 5 3HB ARG 5 0.754 -2.006 -8.341 42 HG2 ARG 5 2HG ARG 5 -0.274 -1.018 -10.065 43 HG3 ARG 5 3HG ARG 5 -1.402 -2.357 -10.289 44 HD2 ARG 5 2HD ARG 5 -1.700 -0.577 -7.914 45 HD3 ARG 5 3HD ARG 5 -2.250 -0.009 -9.490 46 HE ARG 5 HE ARG 5 -3.221 -2.624 -8.814 47 HH11 ARG 5 1HH1 ARG 5 -3.764 0.798 -8.481 48 HH12 ARG 5 2HH1 ARG 5 -5.467 0.634 -8.204 49 HH21 ARG 5 1HH2 ARG 5 -5.461 -2.854 -8.450 50 HH22 ARG 5 2HH2 ARG 5 -6.431 -1.444 -8.186 51 H VAL 6 H VAL 6 2.280 -4.626 -7.850 52 HA VAL 6 HA VAL 6 4.221 -3.493 -9.544 53 HB VAL 6 HB VAL 6 4.673 -5.877 -7.754 54 HG11 VAL 6 1HG1 VAL 6 6.455 -3.637 -8.703 55 HG12 VAL 6 2HG1 VAL 6 6.915 -4.845 -7.501 56 HG13 VAL 6 3HG1 VAL 6 6.555 -5.339 -9.156 57 HG21 VAL 6 1HG2 VAL 6 5.213 -4.174 -5.994 58 HG22 VAL 6 2HG2 VAL 6 4.466 -2.959 -7.031 59 HG23 VAL 6 3HG2 VAL 6 3.502 -4.296 -6.405 60 H ALA 7 H ALA 7 2.311 -6.281 -9.896 61 HA ALA 7 HA ALA 7 3.906 -8.098 -11.212 62 HB1 ALA 7 1HB ALA 7 1.951 -9.036 -12.107 63 HB2 ALA 7 2HB ALA 7 1.438 -8.280 -10.598 64 HB3 ALA 7 3HB ALA 7 1.116 -7.483 -12.137 65 H ARG 8 H ARG 8 2.875 -4.981 -12.278 66 HA ARG 8 HA ARG 8 2.911 -5.156 -15.017 67 HB2 ARG 8 2HB ARG 8 3.891 -2.785 -14.919 68 HB3 ARG 8 3HB ARG 8 2.351 -3.064 -14.118 69 HG2 ARG 8 2HG ARG 8 3.169 -2.434 -12.157 70 HG3 ARG 8 3HG ARG 8 4.552 -3.519 -12.314 71 HD2 ARG 8 2HD ARG 8 5.546 -1.779 -13.876 72 HD3 ARG 8 3HD ARG 8 4.275 -0.696 -13.310 73 HE ARG 8 HE ARG 8 5.447 -0.413 -11.373 74 HH11 ARG 8 1HH1 ARG 8 6.576 -3.303 -12.952 75 HH12 ARG 8 2HH1 ARG 8 7.872 -3.565 -11.832 76 HH21 ARG 8 1HH2 ARG 8 7.150 -0.747 -9.893 77 HH22 ARG 8 2HH2 ARG 8 8.197 -2.111 -10.093 78 H GLY 9 H GLY 9 5.561 -5.493 -12.817 79 HA2 GLY 9 2HA GLY 9 7.770 -4.836 -14.309 80 HA3 GLY 9 3HA GLY 9 7.724 -6.185 -13.184 81 H TRP 10 H TRP 10 5.980 -7.904 -14.430 82 HA TRP 10 HA TRP 10 7.278 -8.433 -17.020 83 HB2 TRP 10 2HB TRP 10 6.967 -10.909 -16.381 84 HB3 TRP 10 3HB TRP 10 8.278 -10.021 -15.610 85 HD1 TRP 10 HD1 TRP 10 5.356 -12.147 -14.808 86 HE1 TRP 10 HE1 TRP 10 4.917 -12.153 -12.272 87 HE3 TRP 10 HE3 TRP 10 8.373 -8.249 -13.454 88 HZ2 TRP 10 HZ2 TRP 10 5.741 -10.697 -9.998 89 HZ3 TRP 10 HZ3 TRP 10 8.490 -7.619 -11.078 90 HH2 TRP 10 HH2 TRP 10 7.200 -8.818 -9.388 91 H GLY 11 H GLY 11 5.383 -10.996 -16.441 92 HA2 GLY 11 2HA GLY 11 2.958 -9.710 -17.530 93 HA3 GLY 11 3HA GLY 11 3.618 -11.172 -18.249 94 H ARG 12 H ARG 12 2.496 -12.914 -17.728 95 HA ARG 12 HA ARG 12 1.421 -13.120 -14.993 96 HB2 ARG 12 2HB ARG 12 -0.382 -14.588 -16.164 97 HB3 ARG 12 3HB ARG 12 -0.527 -12.837 -16.217 98 HG2 ARG 12 2HG ARG 12 0.420 -12.812 -18.460 99 HG3 ARG 12 3HG ARG 12 0.602 -14.567 -18.408 100 HD2 ARG 12 2HD ARG 12 -1.547 -14.906 -18.915 101 HD3 ARG 12 3HD ARG 12 -2.095 -13.695 -17.756 102 HE ARG 12 HE ARG 12 -1.781 -13.354 -20.570 103 HH11 ARG 12 1HH1 ARG 12 -1.602 -11.705 -17.510 104 HH12 ARG 12 2HH1 ARG 12 -1.939 -10.144 -18.183 105 HH21 ARG 12 1HH2 ARG 12 -2.225 -11.306 -21.469 106 HH22 ARG 12 2HH2 ARG 12 -2.295 -9.919 -20.435 107 H LYS 13 H LYS 13 2.857 -14.726 -17.748 108 HA LYS 13 HA LYS 13 2.728 -17.377 -17.046 109 HB2 LYS 13 2HB LYS 13 5.144 -17.427 -18.083 110 HB3 LYS 13 3HB LYS 13 3.748 -17.055 -19.085 111 HG2 LYS 13 2HG LYS 13 4.229 -14.722 -19.023 112 HG3 LYS 13 3HG LYS 13 5.482 -14.958 -17.802 113 HD2 LYS 13 2HD LYS 13 6.870 -14.934 -19.577 114 HD3 LYS 13 3HD LYS 13 6.360 -16.614 -19.758 115 HE2 LYS 13 2HE LYS 13 5.410 -16.167 -21.717 116 HE3 LYS 13 3HE LYS 13 4.455 -14.867 -21.005 117 HZ1 LYS 13 1HZ LYS 13 7.022 -14.735 -22.408 118 HZ2 LYS 13 2HZ LYS 13 6.728 -13.607 -21.183 119 HZ3 LYS 13 3HZ LYS 13 5.683 -13.705 -22.509 120 H CYS 14 H CYS 14 4.541 -14.843 -15.531 121 HA CYS 14 HA CYS 14 6.252 -16.641 -14.050 122 HB2 CYS 14 2HB CYS 14 6.329 -13.919 -14.724 123 HB3 CYS 14 3HB CYS 14 6.134 -13.957 -12.976 124 HG CYS 14 HG CYS 14 8.413 -15.440 -12.480 125 HA PRO 15 HA PRO 15 3.384 -17.368 -10.771 126 HB2 PRO 15 2HB PRO 15 5.148 -18.354 -8.959 127 HB3 PRO 15 3HB PRO 15 4.591 -19.279 -10.358 128 HG2 PRO 15 2HG PRO 15 7.137 -17.748 -9.992 129 HG3 PRO 15 3HG PRO 15 6.888 -19.348 -10.716 130 HD2 PRO 15 2HD PRO 15 7.214 -17.110 -12.205 131 HD3 PRO 15 3HD PRO 15 6.198 -18.467 -12.732 132 H LEU 16 H LEU 16 6.392 -15.602 -10.187 133 HA LEU 16 HA LEU 16 6.234 -14.619 -7.719 134 HB2 LEU 16 2HB LEU 16 6.501 -12.450 -9.684 135 HB3 LEU 16 3HB LEU 16 7.587 -12.949 -8.389 136 HG LEU 16 HG LEU 16 7.347 -14.353 -11.048 137 HD11 LEU 16 1HD1 LEU 16 9.846 -13.211 -10.901 138 HD12 LEU 16 2HD1 LEU 16 8.789 -11.954 -10.260 139 HD13 LEU 16 3HD1 LEU 16 8.490 -12.623 -11.864 140 HD21 LEU 16 1HD2 LEU 16 8.855 -14.834 -8.556 141 HD22 LEU 16 2HD2 LEU 16 9.752 -15.024 -10.063 142 HD23 LEU 16 3HD2 LEU 16 8.289 -15.970 -9.781 143 H PHE 17 H PHE 17 4.413 -13.144 -10.409 144 HA PHE 17 HA PHE 17 2.411 -12.263 -8.441 145 HB2 PHE 17 2HB PHE 17 3.767 -10.679 -10.593 146 HB3 PHE 17 3HB PHE 17 2.118 -10.275 -10.125 147 HD1 PHE 17 HD1 PHE 17 2.044 -8.438 -8.765 148 HD2 PHE 17 HD2 PHE 17 5.204 -11.244 -8.259 149 HE1 PHE 17 HE1 PHE 17 2.903 -7.124 -6.870 150 HE2 PHE 17 HE2 PHE 17 6.068 -9.935 -6.363 151 HZ PHE 17 HZ PHE 17 4.916 -7.873 -5.666 152 H GLY 18 H GLY 18 2.760 -14.474 -10.573 153 HA2 GLY 18 2HA GLY 18 0.041 -14.182 -11.635 154 HA3 GLY 18 3HA GLY 18 1.346 -14.488 -12.771 Start of MODEL 11 1 H1 LYS 1 H LYS 1 0.932 0.463 -0.146 2 HA LYS 1 HA LYS 1 3.380 0.768 -1.739 3 HB2 LYS 1 2HB LYS 1 3.631 -0.319 0.643 4 HB3 LYS 1 3HB LYS 1 2.957 -1.735 -0.153 5 HG2 LYS 1 2HG LYS 1 4.818 -2.095 -1.401 6 HG3 LYS 1 3HG LYS 1 5.226 -0.379 -1.490 7 HD2 LYS 1 2HD LYS 1 5.540 -0.825 1.158 8 HD3 LYS 1 3HD LYS 1 5.975 -2.409 0.512 9 HE2 LYS 1 2HE LYS 1 7.540 -1.235 -1.056 10 HE3 LYS 1 3HE LYS 1 7.203 0.256 -0.176 11 HZ1 LYS 1 1HZ LYS 1 9.161 -1.507 0.427 12 HZ2 LYS 1 2HZ LYS 1 7.949 -1.939 1.525 13 HZ3 LYS 1 3HZ LYS 1 8.532 -0.351 1.491 14 H ASN 2 H ASN 2 3.725 -1.160 -3.195 15 HA ASN 2 HA ASN 2 1.137 -1.934 -4.337 16 HB2 ASN 2 2HB ASN 2 3.913 -1.780 -5.512 17 HB3 ASN 2 3HB ASN 2 2.565 -2.536 -6.355 18 HD21 ASN 2 1HD2 ASN 2 4.297 0.157 -6.270 19 HD22 ASN 2 2HD2 ASN 2 3.114 1.323 -6.748 20 H LYS 3 H LYS 3 0.441 -3.843 -3.631 21 HA LYS 3 HA LYS 3 2.259 -5.912 -2.781 22 HB2 LYS 3 2HB LYS 3 -0.750 -5.972 -3.084 23 HB3 LYS 3 3HB LYS 3 0.225 -7.186 -2.267 24 HG2 LYS 3 2HG LYS 3 1.010 -5.058 -0.882 25 HG3 LYS 3 3HG LYS 3 -0.585 -4.484 -1.375 26 HD2 LYS 3 2HD LYS 3 -0.135 -7.168 -0.088 27 HD3 LYS 3 3HD LYS 3 -0.476 -5.705 0.838 28 HE2 LYS 3 2HE LYS 3 -2.634 -5.547 0.045 29 HE3 LYS 3 3HE LYS 3 -2.274 -6.456 -1.422 30 HZ1 LYS 3 1HZ LYS 3 -1.830 -8.153 0.737 31 HZ2 LYS 3 2HZ LYS 3 -3.054 -8.254 -0.426 32 HZ3 LYS 3 3HZ LYS 3 -3.320 -7.400 1.010 33 H SER 4 H SER 4 -0.040 -5.448 -5.442 34 HA SER 4 HA SER 4 1.269 -7.688 -6.841 35 HB2 SER 4 2HB SER 4 -1.639 -6.884 -6.795 36 HB3 SER 4 3HB SER 4 -0.971 -7.926 -8.051 37 HG SER 4 HG SER 4 -1.791 -9.197 -6.392 38 H ARG 5 H ARG 5 0.213 -4.412 -6.924 39 HA ARG 5 HA ARG 5 0.070 -3.898 -9.650 40 HB2 ARG 5 2HB ARG 5 -0.140 -2.386 -7.398 41 HB3 ARG 5 3HB ARG 5 1.396 -1.816 -8.038 42 HG2 ARG 5 2HG ARG 5 0.430 -0.743 -9.755 43 HG3 ARG 5 3HG ARG 5 -0.768 -2.013 -10.010 44 HD2 ARG 5 2HD ARG 5 -2.250 -1.104 -8.517 45 HD3 ARG 5 3HD ARG 5 -0.983 -0.333 -7.565 46 HE ARG 5 HE ARG 5 -0.939 0.971 -9.968 47 HH11 ARG 5 1HH1 ARG 5 -3.346 0.346 -7.531 48 HH12 ARG 5 2HH1 ARG 5 -4.228 1.804 -7.842 49 HH21 ARG 5 1HH2 ARG 5 -2.092 2.894 -10.387 50 HH22 ARG 5 2HH2 ARG 5 -3.514 3.253 -9.467 51 H VAL 6 H VAL 6 2.819 -4.541 -7.647 52 HA VAL 6 HA VAL 6 4.823 -3.396 -9.285 53 HB VAL 6 HB VAL 6 5.167 -5.781 -7.470 54 HG11 VAL 6 1HG1 VAL 6 7.103 -5.413 -8.804 55 HG12 VAL 6 2HG1 VAL 6 7.047 -3.673 -8.515 56 HG13 VAL 6 3HG1 VAL 6 7.450 -4.774 -7.198 57 HG21 VAL 6 1HG2 VAL 6 5.681 -4.172 -5.690 58 HG22 VAL 6 2HG2 VAL 6 5.228 -2.848 -6.762 59 HG23 VAL 6 3HG2 VAL 6 4.015 -4.020 -6.248 60 H ALA 7 H ALA 7 2.815 -6.059 -9.761 61 HA ALA 7 HA ALA 7 4.364 -7.968 -11.002 62 HB1 ALA 7 1HB ALA 7 2.401 -8.738 -12.074 63 HB2 ALA 7 2HB ALA 7 1.888 -8.057 -10.530 64 HB3 ALA 7 3HB ALA 7 1.657 -7.140 -12.018 65 H ARG 8 H ARG 8 3.609 -4.781 -12.085 66 HA ARG 8 HA ARG 8 3.775 -4.924 -14.817 67 HB2 ARG 8 2HB ARG 8 5.189 -2.796 -13.215 68 HB3 ARG 8 3HB ARG 8 4.466 -2.643 -14.810 69 HG2 ARG 8 2HG ARG 8 2.431 -3.491 -13.044 70 HG3 ARG 8 3HG ARG 8 3.297 -2.165 -12.265 71 HD2 ARG 8 2HD ARG 8 1.710 -1.026 -13.487 72 HD3 ARG 8 3HD ARG 8 3.081 -1.023 -14.596 73 HE ARG 8 HE ARG 8 1.656 -3.273 -15.235 74 HH11 ARG 8 1HH1 ARG 8 0.977 0.137 -15.049 75 HH12 ARG 8 2HH1 ARG 8 -0.226 0.098 -16.295 76 HH21 ARG 8 1HH2 ARG 8 0.074 -3.337 -16.876 77 HH22 ARG 8 2HH2 ARG 8 -0.740 -1.879 -17.333 78 H GLY 9 H GLY 9 6.287 -5.468 -12.492 79 HA2 GLY 9 2HA GLY 9 8.610 -4.980 -13.859 80 HA3 GLY 9 3HA GLY 9 8.400 -6.342 -12.769 81 H TRP 10 H TRP 10 6.607 -7.905 -14.127 82 HA TRP 10 HA TRP 10 7.976 -8.478 -16.671 83 HB2 TRP 10 2HB TRP 10 7.473 -10.937 -16.098 84 HB3 TRP 10 3HB TRP 10 8.805 -10.155 -15.252 85 HD1 TRP 10 HD1 TRP 10 5.718 -12.096 -14.622 86 HE1 TRP 10 HE1 TRP 10 5.166 -12.118 -12.108 87 HE3 TRP 10 HE3 TRP 10 8.916 -8.428 -13.057 88 HZ2 TRP 10 HZ2 TRP 10 5.978 -10.759 -9.771 89 HZ3 TRP 10 HZ3 TRP 10 8.967 -7.849 -10.666 90 HH2 TRP 10 HH2 TRP 10 7.527 -8.991 -9.059 91 H GLY 11 H GLY 11 5.887 -10.913 -16.221 92 HA2 GLY 11 2HA GLY 11 3.607 -9.444 -17.389 93 HA3 GLY 11 3HA GLY 11 4.191 -10.942 -18.099 94 H ARG 12 H ARG 12 2.918 -12.599 -17.654 95 HA ARG 12 HA ARG 12 1.722 -12.761 -14.967 96 HB2 ARG 12 2HB ARG 12 -0.138 -14.073 -16.235 97 HB3 ARG 12 3HB ARG 12 -0.151 -12.314 -16.257 98 HG2 ARG 12 2HG ARG 12 0.513 -12.202 -18.464 99 HG3 ARG 12 3HG ARG 12 1.218 -13.820 -18.440 100 HD2 ARG 12 2HD ARG 12 -0.706 -14.203 -19.632 101 HD3 ARG 12 3HD ARG 12 -1.252 -14.560 -17.994 102 HE ARG 12 HE ARG 12 -1.741 -11.867 -18.441 103 HH11 ARG 12 1HH1 ARG 12 -2.760 -14.931 -19.743 104 HH12 ARG 12 2HH1 ARG 12 -4.327 -14.358 -20.212 105 HH21 ARG 12 1HH2 ARG 12 -3.800 -11.101 -19.053 106 HH22 ARG 12 2HH2 ARG 12 -4.917 -12.179 -19.820 107 H LYS 13 H LYS 13 3.136 -14.434 -17.694 108 HA LYS 13 HA LYS 13 2.780 -17.077 -17.044 109 HB2 LYS 13 2HB LYS 13 5.227 -17.293 -17.986 110 HB3 LYS 13 3HB LYS 13 3.902 -16.807 -19.036 111 HG2 LYS 13 2HG LYS 13 4.549 -14.517 -18.918 112 HG3 LYS 13 3HG LYS 13 5.733 -14.860 -17.655 113 HD2 LYS 13 2HD LYS 13 7.190 -14.922 -19.370 114 HD3 LYS 13 3HD LYS 13 6.557 -16.553 -19.608 115 HE2 LYS 13 2HE LYS 13 5.703 -15.997 -21.585 116 HE3 LYS 13 3HE LYS 13 4.858 -14.616 -20.888 117 HZ1 LYS 13 1HZ LYS 13 6.424 -13.200 -21.592 118 HZ2 LYS 13 2HZ LYS 13 6.840 -14.429 -22.678 119 HZ3 LYS 13 3HZ LYS 13 7.704 -14.247 -21.235 120 H CYS 14 H CYS 14 4.719 -14.711 -15.417 121 HA CYS 14 HA CYS 14 6.229 -16.656 -13.903 122 HB2 CYS 14 2HB CYS 14 6.535 -13.936 -14.523 123 HB3 CYS 14 3HB CYS 14 6.274 -13.990 -12.784 124 HG CYS 14 HG CYS 14 9.036 -13.910 -13.362 125 HA PRO 15 HA PRO 15 3.183 -17.212 -10.753 126 HB2 PRO 15 2HB PRO 15 4.792 -18.364 -8.895 127 HB3 PRO 15 3HB PRO 15 4.220 -19.218 -10.332 128 HG2 PRO 15 2HG PRO 15 6.862 -17.899 -9.839 129 HG3 PRO 15 3HG PRO 15 6.517 -19.462 -10.604 130 HD2 PRO 15 2HD PRO 15 7.076 -17.232 -12.034 131 HD3 PRO 15 3HD PRO 15 5.978 -18.496 -12.626 132 H LEU 16 H LEU 16 6.290 -15.687 -10.031 133 HA LEU 16 HA LEU 16 6.115 -14.739 -7.547 134 HB2 LEU 16 2HB LEU 16 6.625 -12.566 -9.460 135 HB3 LEU 16 3HB LEU 16 7.618 -13.169 -8.134 136 HG LEU 16 HG LEU 16 7.374 -14.504 -10.828 137 HD11 LEU 16 1HD1 LEU 16 8.964 -12.240 -9.939 138 HD12 LEU 16 2HD1 LEU 16 8.684 -12.861 -11.566 139 HD13 LEU 16 3HD1 LEU 16 9.948 -13.567 -10.558 140 HD21 LEU 16 1HD2 LEU 16 8.133 -16.213 -9.560 141 HD22 LEU 16 2HD2 LEU 16 8.738 -15.148 -8.290 142 HD23 LEU 16 3HD2 LEU 16 9.676 -15.383 -9.766 143 H PHE 17 H PHE 17 4.515 -13.088 -10.276 144 HA PHE 17 HA PHE 17 2.522 -12.072 -8.363 145 HB2 PHE 17 2HB PHE 17 4.060 -10.587 -10.462 146 HB3 PHE 17 3HB PHE 17 2.434 -10.059 -10.041 147 HD1 PHE 17 HD1 PHE 17 5.343 -11.300 -8.057 148 HD2 PHE 17 HD2 PHE 17 2.496 -8.203 -8.703 149 HE1 PHE 17 HE1 PHE 17 6.247 -10.071 -6.127 150 HE2 PHE 17 HE2 PHE 17 3.396 -6.969 -6.775 151 HZ PHE 17 HZ PHE 17 5.274 -7.902 -5.484 152 H GLY 18 H GLY 18 2.774 -14.288 -10.513 153 HA2 GLY 18 2HA GLY 18 1.045 -13.713 -12.640 154 HA3 GLY 18 3HA GLY 18 1.362 -15.318 -11.999 Start of MODEL 12 1 H1 LYS 1 H LYS 1 1.198 0.629 -0.462 2 HA LYS 1 HA LYS 1 3.762 0.665 -1.692 3 HB2 LYS 1 2HB LYS 1 3.376 -0.990 0.705 4 HB3 LYS 1 3HB LYS 1 4.008 -1.869 -0.681 5 HG2 LYS 1 2HG LYS 1 6.000 -1.176 0.044 6 HG3 LYS 1 3HG LYS 1 5.562 0.367 -0.694 7 HD2 LYS 1 2HD LYS 1 4.838 1.256 1.381 8 HD3 LYS 1 3HD LYS 1 4.884 -0.330 2.155 9 HE2 LYS 1 2HE LYS 1 7.369 0.868 0.994 10 HE3 LYS 1 3HE LYS 1 6.804 1.360 2.590 11 HZ1 LYS 1 1HZ LYS 1 7.383 -0.598 3.490 12 HZ2 LYS 1 2HZ LYS 1 8.415 -0.720 2.157 13 HZ3 LYS 1 3HZ LYS 1 6.915 -1.501 2.138 14 H ASN 2 H ASN 2 3.979 -0.934 -3.350 15 HA ASN 2 HA ASN 2 1.399 -1.830 -4.346 16 HB2 ASN 2 2HB ASN 2 4.154 -1.703 -5.574 17 HB3 ASN 2 3HB ASN 2 2.783 -2.448 -6.391 18 HD21 ASN 2 1HD2 ASN 2 4.016 -0.412 -7.612 19 HD22 ASN 2 2HD2 ASN 2 3.038 1.012 -7.576 20 H LYS 3 H LYS 3 0.695 -3.732 -3.628 21 HA LYS 3 HA LYS 3 2.507 -5.820 -2.813 22 HB2 LYS 3 2HB LYS 3 -0.507 -5.849 -3.060 23 HB3 LYS 3 3HB LYS 3 0.471 -7.073 -2.260 24 HG2 LYS 3 2HG LYS 3 1.303 -4.972 -0.879 25 HG3 LYS 3 3HG LYS 3 -0.277 -4.349 -1.362 26 HD2 LYS 3 2HD LYS 3 0.205 -6.983 0.032 27 HD3 LYS 3 3HD LYS 3 -0.337 -5.500 0.820 28 HE2 LYS 3 2HE LYS 3 -2.324 -5.496 -0.659 29 HE3 LYS 3 3HE LYS 3 -1.794 -7.038 -1.328 30 HZ1 LYS 3 1HZ LYS 3 -2.640 -6.477 1.457 31 HZ2 LYS 3 2HZ LYS 3 -1.885 -7.918 0.993 32 HZ3 LYS 3 3HZ LYS 3 -3.388 -7.502 0.337 33 H SER 4 H SER 4 0.164 -5.331 -5.430 34 HA SER 4 HA SER 4 1.423 -7.583 -6.855 35 HB2 SER 4 2HB SER 4 -1.475 -6.750 -6.754 36 HB3 SER 4 3HB SER 4 -0.841 -7.798 -8.022 37 HG SER 4 HG SER 4 -1.645 -8.508 -5.630 38 H ARG 5 H ARG 5 0.400 -4.296 -6.916 39 HA ARG 5 HA ARG 5 0.211 -3.780 -9.639 40 HB2 ARG 5 2HB ARG 5 0.060 -2.266 -7.383 41 HB3 ARG 5 3HB ARG 5 1.589 -1.713 -8.051 42 HG2 ARG 5 2HG ARG 5 0.603 -0.625 -9.746 43 HG3 ARG 5 3HG ARG 5 -0.609 -1.885 -9.985 44 HD2 ARG 5 2HD ARG 5 -0.886 -0.393 -7.477 45 HD3 ARG 5 3HD ARG 5 -1.096 0.583 -8.931 46 HE ARG 5 HE ARG 5 -2.881 -1.417 -7.923 47 HH11 ARG 5 1HH1 ARG 5 -1.775 0.210 -10.795 48 HH12 ARG 5 2HH1 ARG 5 -3.241 -0.071 -11.676 49 HH21 ARG 5 1HH2 ARG 5 -4.815 -1.793 -9.072 50 HH22 ARG 5 2HH2 ARG 5 -4.969 -1.210 -10.694 51 H VAL 6 H VAL 6 2.990 -4.453 -7.689 52 HA VAL 6 HA VAL 6 4.975 -3.327 -9.364 53 HB VAL 6 HB VAL 6 5.329 -5.717 -7.556 54 HG11 VAL 6 1HG1 VAL 6 7.627 -4.730 -7.326 55 HG12 VAL 6 2HG1 VAL 6 7.243 -5.369 -8.926 56 HG13 VAL 6 3HG1 VAL 6 7.209 -3.628 -8.638 57 HG21 VAL 6 1HG2 VAL 6 5.432 -2.785 -6.851 58 HG22 VAL 6 2HG2 VAL 6 4.218 -3.945 -6.311 59 HG23 VAL 6 3HG2 VAL 6 5.894 -4.112 -5.785 60 H ALA 7 H ALA 7 2.930 -5.969 -9.803 61 HA ALA 7 HA ALA 7 4.436 -7.893 -11.073 62 HB1 ALA 7 1HB ALA 7 1.969 -7.958 -10.554 63 HB2 ALA 7 2HB ALA 7 1.718 -7.035 -12.036 64 HB3 ALA 7 3HB ALA 7 2.443 -8.641 -12.110 65 H ARG 8 H ARG 8 3.695 -4.699 -12.141 66 HA ARG 8 HA ARG 8 3.809 -4.841 -14.876 67 HB2 ARG 8 2HB ARG 8 5.276 -2.730 -13.300 68 HB3 ARG 8 3HB ARG 8 4.524 -2.569 -14.881 69 HG2 ARG 8 2HG ARG 8 2.513 -3.395 -13.078 70 HG3 ARG 8 3HG ARG 8 3.409 -2.081 -12.313 71 HD2 ARG 8 2HD ARG 8 1.807 -0.927 -13.503 72 HD3 ARG 8 3HD ARG 8 3.163 -0.926 -14.630 73 HE ARG 8 HE ARG 8 1.900 -2.169 -16.066 74 HH11 ARG 8 1HH1 ARG 8 0.554 -2.450 -12.867 75 HH12 ARG 8 2HH1 ARG 8 -0.831 -3.351 -13.388 76 HH21 ARG 8 1HH2 ARG 8 0.081 -3.355 -16.763 77 HH22 ARG 8 2HH2 ARG 8 -1.099 -3.867 -15.604 78 H GLY 9 H GLY 9 6.358 -5.414 -12.599 79 HA2 GLY 9 2HA GLY 9 8.660 -4.951 -14.009 80 HA3 GLY 9 3HA GLY 9 8.455 -6.310 -12.914 81 H TRP 10 H TRP 10 6.620 -7.854 -14.239 82 HA TRP 10 HA TRP 10 7.935 -8.440 -16.808 83 HB2 TRP 10 2HB TRP 10 7.415 -10.895 -16.226 84 HB3 TRP 10 3HB TRP 10 8.772 -10.127 -15.405 85 HD1 TRP 10 HD1 TRP 10 5.676 -12.035 -14.717 86 HE1 TRP 10 HE1 TRP 10 5.172 -12.051 -12.193 87 HE3 TRP 10 HE3 TRP 10 8.943 -8.402 -13.212 88 HZ2 TRP 10 HZ2 TRP 10 6.043 -10.702 -9.872 89 HZ3 TRP 10 HZ3 TRP 10 9.045 -7.824 -10.823 90 HH2 TRP 10 HH2 TRP 10 7.624 -8.951 -9.189 91 H GLY 11 H GLY 11 5.828 -10.854 -16.319 92 HA2 GLY 11 2HA GLY 11 3.542 -9.360 -17.443 93 HA3 GLY 11 3HA GLY 11 4.097 -10.863 -18.165 94 H ARG 12 H ARG 12 2.816 -12.508 -17.696 95 HA ARG 12 HA ARG 12 1.668 -12.659 -14.987 96 HB2 ARG 12 2HB ARG 12 -0.230 -13.947 -16.216 97 HB3 ARG 12 3HB ARG 12 -0.222 -12.189 -16.245 98 HG2 ARG 12 2HG ARG 12 0.566 -12.129 -18.467 99 HG3 ARG 12 3HG ARG 12 0.975 -13.846 -18.444 100 HD2 ARG 12 2HD ARG 12 -1.004 -13.955 -19.568 101 HD3 ARG 12 3HD ARG 12 -1.608 -14.077 -17.916 102 HE ARG 12 HE ARG 12 -1.605 -11.402 -18.435 103 HH11 ARG 12 1HH1 ARG 12 -2.988 -14.197 -19.983 104 HH12 ARG 12 2HH1 ARG 12 -4.350 -13.334 -20.617 105 HH21 ARG 12 1HH2 ARG 12 -3.394 -10.255 -19.264 106 HH22 ARG 12 2HH2 ARG 12 -4.579 -11.091 -20.209 107 H LYS 13 H LYS 13 3.014 -14.344 -17.740 108 HA LYS 13 HA LYS 13 2.643 -16.983 -17.085 109 HB2 LYS 13 2HB LYS 13 5.070 -17.224 -18.073 110 HB3 LYS 13 3HB LYS 13 3.730 -16.726 -19.097 111 HG2 LYS 13 2HG LYS 13 4.400 -14.442 -18.994 112 HG3 LYS 13 3HG LYS 13 5.604 -14.795 -17.752 113 HD2 LYS 13 2HD LYS 13 7.047 -14.915 -19.465 114 HD3 LYS 13 3HD LYS 13 6.336 -16.504 -19.755 115 HE2 LYS 13 2HE LYS 13 4.652 -14.581 -20.971 116 HE3 LYS 13 3HE LYS 13 6.310 -14.193 -21.428 117 HZ1 LYS 13 1HZ LYS 13 4.820 -15.981 -22.704 118 HZ2 LYS 13 2HZ LYS 13 5.574 -16.998 -21.583 119 HZ3 LYS 13 3HZ LYS 13 6.509 -16.063 -22.638 120 H CYS 14 H CYS 14 4.636 -14.639 -15.493 121 HA CYS 14 HA CYS 14 6.153 -16.600 -14.009 122 HB2 CYS 14 2HB CYS 14 6.477 -13.883 -14.634 123 HB3 CYS 14 3HB CYS 14 6.248 -13.935 -12.890 124 HG CYS 14 HG CYS 14 8.982 -14.360 -14.468 125 HA PRO 15 HA PRO 15 3.162 -17.125 -10.802 126 HB2 PRO 15 2HB PRO 15 4.794 -18.294 -8.974 127 HB3 PRO 15 3HB PRO 15 4.186 -19.142 -10.401 128 HG2 PRO 15 2HG PRO 15 6.850 -17.851 -9.958 129 HG3 PRO 15 3HG PRO 15 6.474 -19.410 -10.716 130 HD2 PRO 15 2HD PRO 15 7.030 -17.185 -12.156 131 HD3 PRO 15 3HD PRO 15 5.908 -18.437 -12.727 132 H LEU 16 H LEU 16 6.298 -15.633 -10.138 133 HA LEU 16 HA LEU 16 6.180 -14.684 -7.652 134 HB2 LEU 16 2HB LEU 16 6.676 -12.516 -9.573 135 HB3 LEU 16 3HB LEU 16 7.688 -13.130 -8.267 136 HG LEU 16 HG LEU 16 7.378 -14.461 -10.956 137 HD11 LEU 16 1HD1 LEU 16 9.011 -12.215 -10.096 138 HD12 LEU 16 2HD1 LEU 16 8.691 -12.830 -11.717 139 HD13 LEU 16 3HD1 LEU 16 9.967 -13.552 -10.736 140 HD21 LEU 16 1HD2 LEU 16 8.784 -15.121 -8.445 141 HD22 LEU 16 2HD2 LEU 16 9.692 -15.364 -9.938 142 HD23 LEU 16 3HD2 LEU 16 8.145 -16.179 -9.703 143 H PHE 17 H PHE 17 4.547 -13.015 -10.349 144 HA PHE 17 HA PHE 17 2.600 -11.980 -8.399 145 HB2 PHE 17 2HB PHE 17 4.114 -10.509 -10.527 146 HB3 PHE 17 3HB PHE 17 2.502 -9.965 -10.074 147 HD1 PHE 17 HD1 PHE 17 2.610 -8.109 -8.739 148 HD2 PHE 17 HD2 PHE 17 5.434 -11.238 -8.146 149 HE1 PHE 17 HE1 PHE 17 3.560 -6.884 -6.828 150 HE2 PHE 17 HE2 PHE 17 6.388 -10.019 -6.233 151 HZ PHE 17 HZ PHE 17 5.451 -7.840 -5.572 152 H GLY 18 H GLY 18 2.789 -14.197 -10.553 153 HA2 GLY 18 2HA GLY 18 1.097 -13.665 -12.685 154 HA3 GLY 18 3HA GLY 18 1.282 -15.243 -11.934 Start of MODEL 13 1 H1 LYS 1 H LYS 1 4.975 -0.988 -0.383 2 HA LYS 1 HA LYS 1 2.759 -0.720 0.105 3 HB2 LYS 1 2HB LYS 1 2.245 1.217 -2.082 4 HB3 LYS 1 3HB LYS 1 1.714 1.245 -0.406 5 HG2 LYS 1 2HG LYS 1 3.966 1.931 0.284 6 HG3 LYS 1 3HG LYS 1 4.468 1.938 -1.409 7 HD2 LYS 1 2HD LYS 1 2.045 3.495 -0.852 8 HD3 LYS 1 3HD LYS 1 3.500 4.099 -0.055 9 HE2 LYS 1 2HE LYS 1 4.521 4.632 -2.024 10 HE3 LYS 1 3HE LYS 1 3.709 3.348 -2.919 11 HZ1 LYS 1 1HZ LYS 1 2.324 5.785 -1.950 12 HZ2 LYS 1 2HZ LYS 1 1.734 4.626 -3.032 13 HZ3 LYS 1 3HZ LYS 1 2.996 5.651 -3.497 14 H ASN 2 H ASN 2 3.975 -1.481 -2.963 15 HA ASN 2 HA ASN 2 1.391 -2.447 -3.943 16 HB2 ASN 2 2HB ASN 2 4.093 -2.212 -5.283 17 HB3 ASN 2 3HB ASN 2 2.673 -2.916 -6.051 18 HD21 ASN 2 1HD2 ASN 2 3.966 -0.779 -7.162 19 HD22 ASN 2 2HD2 ASN 2 2.963 0.625 -7.060 20 H LYS 3 H LYS 3 0.852 -4.388 -3.184 21 HA LYS 3 HA LYS 3 2.867 -6.361 -2.526 22 HB2 LYS 3 2HB LYS 3 -0.151 -6.536 -2.412 23 HB3 LYS 3 3HB LYS 3 0.971 -7.715 -1.744 24 HG2 LYS 3 2HG LYS 3 1.864 -5.555 -0.474 25 HG3 LYS 3 3HG LYS 3 0.195 -5.044 -0.735 26 HD2 LYS 3 2HD LYS 3 0.825 -7.750 0.394 27 HD3 LYS 3 3HD LYS 3 0.772 -6.322 1.431 28 HE2 LYS 3 2HE LYS 3 -1.536 -5.968 0.167 29 HE3 LYS 3 3HE LYS 3 -1.419 -7.718 -0.010 30 HZ1 LYS 3 1HZ LYS 3 -1.479 -8.032 2.272 31 HZ2 LYS 3 2HZ LYS 3 -2.593 -6.781 2.042 32 HZ3 LYS 3 3HZ LYS 3 -1.042 -6.435 2.621 33 H SER 4 H SER 4 0.208 -6.012 -4.848 34 HA SER 4 HA SER 4 1.396 -8.219 -6.401 35 HB2 SER 4 2HB SER 4 -1.498 -7.502 -5.953 36 HB3 SER 4 3HB SER 4 -0.989 -8.497 -7.317 37 HG SER 4 HG SER 4 -1.239 -9.151 -4.684 38 H ARG 5 H ARG 5 0.163 -4.987 -6.381 39 HA ARG 5 HA ARG 5 -0.301 -4.510 -9.071 40 HB2 ARG 5 2HB ARG 5 0.595 -2.805 -6.787 41 HB3 ARG 5 3HB ARG 5 0.639 -2.133 -8.411 42 HG2 ARG 5 2HG ARG 5 -1.817 -2.968 -8.541 43 HG3 ARG 5 3HG ARG 5 -1.708 -2.985 -6.779 44 HD2 ARG 5 2HD ARG 5 -2.239 -0.822 -6.853 45 HD3 ARG 5 3HD ARG 5 -0.613 -0.548 -7.478 46 HE ARG 5 HE ARG 5 -2.025 -1.132 -9.703 47 HH11 ARG 5 1HH1 ARG 5 -2.519 1.119 -7.094 48 HH12 ARG 5 2HH1 ARG 5 -3.357 2.274 -8.076 49 HH21 ARG 5 1HH2 ARG 5 -3.127 0.381 -11.007 50 HH22 ARG 5 2HH2 ARG 5 -3.703 1.853 -10.302 51 H VAL 6 H VAL 6 2.695 -4.973 -7.387 52 HA VAL 6 HA VAL 6 4.460 -3.754 -9.203 53 HB VAL 6 HB VAL 6 5.089 -6.217 -7.582 54 HG11 VAL 6 1HG1 VAL 6 7.341 -5.205 -7.502 55 HG12 VAL 6 2HG1 VAL 6 6.818 -5.579 -9.146 56 HG13 VAL 6 3HG1 VAL 6 6.773 -3.915 -8.562 57 HG21 VAL 6 1HG2 VAL 6 5.798 -4.580 -5.809 58 HG22 VAL 6 2HG2 VAL 6 4.923 -3.340 -6.706 59 HG23 VAL 6 3HG2 VAL 6 4.056 -4.725 -6.044 60 H ALA 7 H ALA 7 2.540 -6.543 -9.502 61 HA ALA 7 HA ALA 7 4.006 -8.280 -11.052 62 HB1 ALA 7 1HB ALA 7 1.602 -8.495 -10.214 63 HB2 ALA 7 2HB ALA 7 1.143 -7.650 -11.693 64 HB3 ALA 7 3HB ALA 7 1.983 -9.198 -11.786 65 H ARG 8 H ARG 8 2.867 -5.124 -11.864 66 HA ARG 8 HA ARG 8 2.642 -5.165 -14.598 67 HB2 ARG 8 2HB ARG 8 3.623 -2.797 -14.481 68 HB3 ARG 8 3HB ARG 8 2.168 -3.124 -13.548 69 HG2 ARG 8 2HG ARG 8 3.175 -2.610 -11.638 70 HG3 ARG 8 3HG ARG 8 4.559 -3.641 -12.007 71 HD2 ARG 8 2HD ARG 8 5.206 -1.712 -13.636 72 HD3 ARG 8 3HD ARG 8 4.124 -0.750 -12.628 73 HE ARG 8 HE ARG 8 5.674 -0.827 -10.934 74 HH11 ARG 8 1HH1 ARG 8 6.532 -3.118 -13.410 75 HH12 ARG 8 2HH1 ARG 8 8.095 -3.453 -12.741 76 HH21 ARG 8 1HH2 ARG 8 7.729 -1.258 -10.043 77 HH22 ARG 8 2HH2 ARG 8 8.775 -2.395 -10.826 78 H GLY 9 H GLY 9 5.493 -5.588 -12.681 79 HA2 GLY 9 2HA GLY 9 7.548 -4.848 -14.344 80 HA3 GLY 9 3HA GLY 9 7.611 -6.251 -13.287 81 H TRP 10 H TRP 10 5.763 -7.920 -14.442 82 HA TRP 10 HA TRP 10 6.804 -8.312 -17.169 83 HB2 TRP 10 2HB TRP 10 6.564 -10.819 -16.626 84 HB3 TRP 10 3HB TRP 10 7.941 -9.959 -15.942 85 HD1 TRP 10 HD1 TRP 10 5.119 -12.146 -14.967 86 HE1 TRP 10 HE1 TRP 10 4.927 -12.279 -12.404 87 HE3 TRP 10 HE3 TRP 10 8.236 -8.291 -13.720 88 HZ2 TRP 10 HZ2 TRP 10 5.961 -10.927 -10.152 89 HZ3 TRP 10 HZ3 TRP 10 8.580 -7.775 -11.339 90 HH2 TRP 10 HH2 TRP 10 7.465 -9.067 -9.593 91 H GLY 11 H GLY 11 4.981 -10.915 -16.535 92 HA2 GLY 11 2HA GLY 11 2.458 -9.596 -17.317 93 HA3 GLY 11 3HA GLY 11 3.049 -11.014 -18.171 94 H ARG 12 H ARG 12 1.988 -12.789 -17.633 95 HA ARG 12 HA ARG 12 1.187 -13.142 -14.820 96 HB2 ARG 12 2HB ARG 12 -0.714 -14.568 -15.892 97 HB3 ARG 12 3HB ARG 12 -0.874 -12.818 -15.823 98 HG2 ARG 12 2HG ARG 12 0.376 -13.963 -18.249 99 HG3 ARG 12 3HG ARG 12 -1.356 -14.222 -18.026 100 HD2 ARG 12 2HD ARG 12 -1.857 -12.026 -18.299 101 HD3 ARG 12 3HD ARG 12 -0.355 -11.481 -17.554 102 HE ARG 12 HE ARG 12 0.556 -11.344 -19.638 103 HH11 ARG 12 1HH1 ARG 12 -2.184 -13.488 -19.766 104 HH12 ARG 12 2HH1 ARG 12 -2.111 -13.691 -21.485 105 HH21 ARG 12 1HH2 ARG 12 0.663 -11.603 -21.902 106 HH22 ARG 12 2HH2 ARG 12 -0.490 -12.618 -22.699 107 H LYS 13 H LYS 13 2.368 -14.587 -17.775 108 HA LYS 13 HA LYS 13 2.310 -17.274 -17.204 109 HB2 LYS 13 2HB LYS 13 4.622 -17.240 -18.467 110 HB3 LYS 13 3HB LYS 13 3.128 -16.853 -19.311 111 HG2 LYS 13 2HG LYS 13 3.577 -14.519 -19.198 112 HG3 LYS 13 3HG LYS 13 4.942 -14.777 -18.109 113 HD2 LYS 13 2HD LYS 13 6.195 -14.709 -19.966 114 HD3 LYS 13 3HD LYS 13 5.603 -16.348 -20.250 115 HE2 LYS 13 2HE LYS 13 3.621 -14.576 -21.195 116 HE3 LYS 13 3HE LYS 13 5.168 -13.978 -21.791 117 HZ1 LYS 13 1HZ LYS 13 4.167 -16.756 -22.115 118 HZ2 LYS 13 2HZ LYS 13 5.625 -16.149 -22.721 119 HZ3 LYS 13 3HZ LYS 13 4.153 -15.565 -23.317 120 H CYS 14 H CYS 14 4.240 -14.805 -15.733 121 HA CYS 14 HA CYS 14 6.097 -16.661 -14.522 122 HB2 CYS 14 2HB CYS 14 6.106 -13.911 -15.066 123 HB3 CYS 14 3HB CYS 14 6.074 -14.033 -13.311 124 HG CYS 14 HG CYS 14 8.399 -15.485 -13.080 125 HA PRO 15 HA PRO 15 3.566 -17.572 -11.020 126 HB2 PRO 15 2HB PRO 15 5.503 -18.625 -9.436 127 HB3 PRO 15 3HB PRO 15 4.818 -19.488 -10.818 128 HG2 PRO 15 2HG PRO 15 7.379 -17.950 -10.625 129 HG3 PRO 15 3HG PRO 15 7.070 -19.516 -11.398 130 HD2 PRO 15 2HD PRO 15 7.239 -17.206 -12.802 131 HD3 PRO 15 3HD PRO 15 6.184 -18.547 -13.293 132 H LEU 16 H LEU 16 6.611 -15.812 -10.637 133 HA LEU 16 HA LEU 16 6.685 -14.947 -8.122 134 HB2 LEU 16 2HB LEU 16 6.752 -12.685 -9.996 135 HB3 LEU 16 3HB LEU 16 7.960 -13.235 -8.837 136 HG LEU 16 HG LEU 16 7.471 -14.512 -11.525 137 HD11 LEU 16 1HD1 LEU 16 8.524 -12.737 -12.364 138 HD12 LEU 16 2HD1 LEU 16 9.968 -13.353 -11.561 139 HD13 LEU 16 3HD1 LEU 16 8.967 -12.138 -10.766 140 HD21 LEU 16 1HD2 LEU 16 8.539 -16.178 -10.434 141 HD22 LEU 16 2HD2 LEU 16 9.216 -15.097 -9.216 142 HD23 LEU 16 3HD2 LEU 16 9.962 -15.207 -10.811 143 H PHE 17 H PHE 17 4.610 -13.359 -10.551 144 HA PHE 17 HA PHE 17 2.801 -12.592 -8.360 145 HB2 PHE 17 2HB PHE 17 3.937 -10.895 -10.553 146 HB3 PHE 17 3HB PHE 17 2.339 -10.529 -9.911 147 HD1 PHE 17 HD1 PHE 17 5.594 -11.559 -8.398 148 HD2 PHE 17 HD2 PHE 17 2.387 -8.760 -8.462 149 HE1 PHE 17 HE1 PHE 17 6.630 -10.334 -6.533 150 HE2 PHE 17 HE2 PHE 17 3.419 -7.531 -6.597 151 HZ PHE 17 HZ PHE 17 5.544 -8.317 -5.630 152 H GLY 18 H GLY 18 2.954 -14.696 -10.621 153 HA2 GLY 18 2HA GLY 18 0.134 -14.432 -11.350 154 HA3 GLY 18 3HA GLY 18 1.294 -14.556 -12.666 Start of MODEL 14 1 H1 LYS 1 H LYS 1 0.862 0.096 0.088 2 HA LYS 1 HA LYS 1 2.661 0.477 -1.471 3 HB2 LYS 1 2HB LYS 1 3.793 -1.843 0.056 4 HB3 LYS 1 3HB LYS 1 4.363 -1.500 -1.572 5 HG2 LYS 1 2HG LYS 1 5.877 -0.271 -0.440 6 HG3 LYS 1 3HG LYS 1 4.599 0.944 -0.529 7 HD2 LYS 1 2HD LYS 1 4.472 1.005 1.690 8 HD3 LYS 1 3HD LYS 1 4.132 -0.727 1.739 9 HE2 LYS 1 2HE LYS 1 6.337 -1.284 2.094 10 HE3 LYS 1 3HE LYS 1 6.942 0.192 1.343 11 HZ1 LYS 1 1HZ LYS 1 6.327 -0.321 4.080 12 HZ2 LYS 1 2HZ LYS 1 5.515 1.050 3.514 13 HZ3 LYS 1 3HZ LYS 1 7.200 0.957 3.397 14 H ASN 2 H ASN 2 3.269 -0.936 -3.440 15 HA ASN 2 HA ASN 2 0.859 -2.087 -4.428 16 HB2 ASN 2 2HB ASN 2 3.652 -1.898 -5.558 17 HB3 ASN 2 3HB ASN 2 2.323 -2.654 -6.430 18 HD21 ASN 2 1HD2 ASN 2 3.429 -0.672 -7.705 19 HD22 ASN 2 2HD2 ASN 2 2.479 0.770 -7.639 20 H LYS 3 H LYS 3 0.169 -4.008 -3.750 21 HA LYS 3 HA LYS 3 1.991 -6.071 -2.896 22 HB2 LYS 3 2HB LYS 3 -1.012 -6.153 -3.246 23 HB3 LYS 3 3HB LYS 3 -0.039 -7.368 -2.427 24 HG2 LYS 3 2HG LYS 3 -0.047 -4.513 -1.522 25 HG3 LYS 3 3HG LYS 3 -1.291 -5.651 -1.002 26 HD2 LYS 3 2HD LYS 3 0.195 -5.985 0.685 27 HD3 LYS 3 3HD LYS 3 0.861 -7.135 -0.477 28 HE2 LYS 3 2HE LYS 3 2.769 -5.999 -0.601 29 HE3 LYS 3 3HE LYS 3 1.913 -4.498 -0.947 30 HZ1 LYS 3 1HZ LYS 3 3.038 -5.442 1.532 31 HZ2 LYS 3 2HZ LYS 3 1.473 -4.820 1.689 32 HZ3 LYS 3 3HZ LYS 3 2.701 -3.862 1.029 33 H SER 4 H SER 4 -0.270 -5.599 -5.587 34 HA SER 4 HA SER 4 1.080 -7.811 -6.990 35 HB2 SER 4 2HB SER 4 -1.836 -7.034 -6.980 36 HB3 SER 4 3HB SER 4 -1.139 -8.057 -8.236 37 HG SER 4 HG SER 4 -1.151 -9.666 -6.891 38 H ARG 5 H ARG 5 -0.001 -4.544 -7.053 39 HA ARG 5 HA ARG 5 -0.108 -4.002 -9.775 40 HB2 ARG 5 2HB ARG 5 0.522 -2.382 -7.349 41 HB3 ARG 5 3HB ARG 5 0.834 -1.677 -8.930 42 HG2 ARG 5 2HG ARG 5 -1.601 -2.375 -9.454 43 HG3 ARG 5 3HG ARG 5 -1.767 -2.478 -7.700 44 HD2 ARG 5 2HD ARG 5 -2.018 -0.276 -7.585 45 HD3 ARG 5 3HD ARG 5 -0.434 -0.049 -8.323 46 HE ARG 5 HE ARG 5 -2.086 -0.568 -10.427 47 HH11 ARG 5 1HH1 ARG 5 -2.079 1.750 -7.829 48 HH12 ARG 5 2HH1 ARG 5 -2.891 2.975 -8.746 49 HH21 ARG 5 1HH2 ARG 5 -3.155 1.038 -11.644 50 HH22 ARG 5 2HH2 ARG 5 -3.503 2.569 -10.915 51 H VAL 6 H VAL 6 2.614 -4.649 -7.739 52 HA VAL 6 HA VAL 6 4.633 -3.466 -9.333 53 HB VAL 6 HB VAL 6 4.971 -5.867 -7.538 54 HG11 VAL 6 1HG1 VAL 6 7.240 -4.838 -7.219 55 HG12 VAL 6 2HG1 VAL 6 6.924 -5.468 -8.837 56 HG13 VAL 6 3HG1 VAL 6 6.846 -3.732 -8.534 57 HG21 VAL 6 1HG2 VAL 6 4.997 -2.942 -6.799 58 HG22 VAL 6 2HG2 VAL 6 3.783 -4.126 -6.317 59 HG23 VAL 6 3HG2 VAL 6 5.440 -4.274 -5.731 60 H ALA 7 H ALA 7 2.655 -6.140 -9.869 61 HA ALA 7 HA ALA 7 4.241 -8.022 -11.105 62 HB1 ALA 7 1HB ALA 7 2.301 -8.800 -12.213 63 HB2 ALA 7 2HB ALA 7 1.757 -8.135 -10.673 64 HB3 ALA 7 3HB ALA 7 1.543 -7.208 -12.158 65 H ARG 8 H ARG 8 3.476 -4.831 -12.166 66 HA ARG 8 HA ARG 8 3.685 -4.943 -14.897 67 HB2 ARG 8 2HB ARG 8 5.056 -2.820 -13.251 68 HB3 ARG 8 3HB ARG 8 4.356 -2.657 -14.855 69 HG2 ARG 8 2HG ARG 8 2.302 -3.541 -13.129 70 HG3 ARG 8 3HG ARG 8 3.144 -2.216 -12.323 71 HD2 ARG 8 2HD ARG 8 2.464 -0.684 -13.841 72 HD3 ARG 8 3HD ARG 8 2.557 -1.821 -15.185 73 HE ARG 8 HE ARG 8 0.242 -1.148 -13.695 74 HH11 ARG 8 1HH1 ARG 8 1.820 -3.819 -15.275 75 HH12 ARG 8 2HH1 ARG 8 0.345 -4.672 -15.592 76 HH21 ARG 8 1HH2 ARG 8 -1.706 -2.261 -14.107 77 HH22 ARG 8 2HH2 ARG 8 -1.660 -3.784 -14.928 78 H GLY 9 H GLY 9 6.166 -5.491 -12.539 79 HA2 GLY 9 2HA GLY 9 8.505 -4.969 -13.864 80 HA3 GLY 9 3HA GLY 9 8.289 -6.344 -12.791 81 H TRP 10 H TRP 10 6.531 -7.908 -14.194 82 HA TRP 10 HA TRP 10 7.945 -8.441 -16.722 83 HB2 TRP 10 2HB TRP 10 7.453 -10.911 -16.183 84 HB3 TRP 10 3HB TRP 10 8.765 -10.126 -15.308 85 HD1 TRP 10 HD1 TRP 10 5.686 -12.100 -14.747 86 HE1 TRP 10 HE1 TRP 10 5.095 -12.154 -12.242 87 HE3 TRP 10 HE3 TRP 10 8.828 -8.422 -13.094 88 HZ2 TRP 10 HZ2 TRP 10 5.860 -10.813 -9.879 89 HZ3 TRP 10 HZ3 TRP 10 8.837 -7.868 -10.696 90 HH2 TRP 10 HH2 TRP 10 7.382 -9.039 -9.124 91 H GLY 11 H GLY 11 5.869 -10.899 -16.330 92 HA2 GLY 11 2HA GLY 11 3.596 -9.437 -17.519 93 HA3 GLY 11 3HA GLY 11 4.204 -10.922 -18.235 94 H ARG 12 H ARG 12 2.938 -12.594 -17.827 95 HA ARG 12 HA ARG 12 1.701 -12.795 -15.161 96 HB2 ARG 12 2HB ARG 12 -0.127 -14.109 -16.472 97 HB3 ARG 12 3HB ARG 12 -0.155 -12.350 -16.475 98 HG2 ARG 12 2HG ARG 12 0.504 -12.205 -18.671 99 HG3 ARG 12 3HG ARG 12 1.282 -13.789 -18.653 100 HD2 ARG 12 2HD ARG 12 -0.569 -14.766 -19.401 101 HD3 ARG 12 3HD ARG 12 -1.520 -14.060 -18.096 102 HE ARG 12 HE ARG 12 -1.357 -13.143 -20.813 103 HH11 ARG 12 1HH1 ARG 12 -2.029 -12.229 -17.522 104 HH12 ARG 12 2HH1 ARG 12 -3.026 -10.882 -17.962 105 HH21 ARG 12 1HH2 ARG 12 -2.668 -11.372 -21.405 106 HH22 ARG 12 2HH2 ARG 12 -3.389 -10.396 -20.171 107 H LYS 13 H LYS 13 3.173 -14.426 -17.883 108 HA LYS 13 HA LYS 13 2.829 -17.079 -17.267 109 HB2 LYS 13 2HB LYS 13 5.293 -17.264 -18.173 110 HB3 LYS 13 3HB LYS 13 3.980 -16.779 -19.238 111 HG2 LYS 13 2HG LYS 13 4.604 -14.484 -19.086 112 HG3 LYS 13 3HG LYS 13 5.772 -14.831 -17.808 113 HD2 LYS 13 2HD LYS 13 7.261 -14.874 -19.493 114 HD3 LYS 13 3HD LYS 13 6.629 -16.498 -19.778 115 HE2 LYS 13 2HE LYS 13 4.901 -14.658 -21.066 116 HE3 LYS 13 3HE LYS 13 6.555 -14.222 -21.491 117 HZ1 LYS 13 1HZ LYS 13 5.000 -16.486 -22.309 118 HZ2 LYS 13 2HZ LYS 13 6.524 -16.928 -21.725 119 HZ3 LYS 13 3HZ LYS 13 6.395 -15.828 -23.004 120 H CYS 14 H CYS 14 4.721 -14.715 -15.584 121 HA CYS 14 HA CYS 14 6.223 -16.663 -14.067 122 HB2 CYS 14 2HB CYS 14 6.517 -13.935 -14.653 123 HB3 CYS 14 3HB CYS 14 6.229 -14.009 -12.919 124 HG CYS 14 HG CYS 14 8.888 -15.062 -14.696 125 HA PRO 15 HA PRO 15 3.133 -17.277 -10.971 126 HB2 PRO 15 2HB PRO 15 4.723 -18.435 -9.100 127 HB3 PRO 15 3HB PRO 15 4.180 -19.279 -10.555 128 HG2 PRO 15 2HG PRO 15 6.803 -17.943 -10.007 129 HG3 PRO 15 3HG PRO 15 6.483 -19.501 -10.792 130 HD2 PRO 15 2HD PRO 15 7.046 -17.251 -12.191 131 HD3 PRO 15 3HD PRO 15 5.968 -18.518 -12.813 132 H LEU 16 H LEU 16 6.216 -15.735 -10.184 133 HA LEU 16 HA LEU 16 5.993 -14.814 -7.694 134 HB2 LEU 16 2HB LEU 16 6.515 -12.617 -9.575 135 HB3 LEU 16 3HB LEU 16 7.493 -13.226 -8.241 136 HG LEU 16 HG LEU 16 7.302 -14.535 -10.952 137 HD11 LEU 16 1HD1 LEU 16 9.863 -13.578 -10.631 138 HD12 LEU 16 2HD1 LEU 16 8.858 -12.266 -10.014 139 HD13 LEU 16 3HD1 LEU 16 8.609 -12.873 -11.652 140 HD21 LEU 16 1HD2 LEU 16 9.594 -15.406 -9.864 141 HD22 LEU 16 2HD2 LEU 16 8.056 -16.251 -9.688 142 HD23 LEU 16 3HD2 LEU 16 8.634 -15.193 -8.400 143 H PHE 17 H PHE 17 4.424 -13.147 -10.430 144 HA PHE 17 HA PHE 17 2.392 -12.168 -8.540 145 HB2 PHE 17 2HB PHE 17 3.951 -10.648 -10.598 146 HB3 PHE 17 3HB PHE 17 2.315 -10.138 -10.198 147 HD1 PHE 17 HD1 PHE 17 5.201 -11.376 -8.181 148 HD2 PHE 17 HD2 PHE 17 2.339 -8.296 -8.839 149 HE1 PHE 17 HE1 PHE 17 6.065 -10.160 -6.224 150 HE2 PHE 17 HE2 PHE 17 3.198 -7.075 -6.884 151 HZ PHE 17 HZ PHE 17 5.064 -8.006 -5.573 152 H GLY 18 H GLY 18 2.697 -14.359 -10.707 153 HA2 GLY 18 2HA GLY 18 0.937 -13.732 -12.822 154 HA3 GLY 18 3HA GLY 18 1.359 -15.352 -12.287 Start of MODEL 15 1 H1 LYS 1 H LYS 1 1.347 1.082 -0.607 2 HA LYS 1 HA LYS 1 3.440 1.085 -1.936 3 HB2 LYS 1 2HB LYS 1 4.941 -0.869 -1.591 4 HB3 LYS 1 3HB LYS 1 4.874 0.213 -0.206 5 HG2 LYS 1 2HG LYS 1 2.876 -1.668 0.261 6 HG3 LYS 1 3HG LYS 1 4.237 -2.590 -0.383 7 HD2 LYS 1 2HD LYS 1 5.613 -1.131 1.315 8 HD3 LYS 1 3HD LYS 1 4.047 -0.968 2.113 9 HE2 LYS 1 2HE LYS 1 4.794 -2.853 3.151 10 HE3 LYS 1 3HE LYS 1 4.007 -3.591 1.757 11 HZ1 LYS 1 1HZ LYS 1 6.193 -4.529 2.105 12 HZ2 LYS 1 2HZ LYS 1 6.907 -2.998 2.007 13 HZ3 LYS 1 3HZ LYS 1 6.162 -3.673 0.646 14 H ASN 2 H ASN 2 4.002 -0.719 -3.585 15 HA ASN 2 HA ASN 2 1.471 -1.780 -4.525 16 HB2 ASN 2 2HB ASN 2 4.219 -1.686 -5.784 17 HB3 ASN 2 3HB ASN 2 2.799 -2.367 -6.571 18 HD21 ASN 2 1HD2 ASN 2 0.836 -0.649 -6.032 19 HD22 ASN 2 2HD2 ASN 2 1.187 0.919 -6.669 20 H LYS 3 H LYS 3 0.848 -3.674 -3.711 21 HA LYS 3 HA LYS 3 2.768 -5.667 -2.878 22 HB2 LYS 3 2HB LYS 3 -0.253 -5.779 -2.950 23 HB3 LYS 3 3HB LYS 3 0.798 -6.949 -2.165 24 HG2 LYS 3 2HG LYS 3 1.654 -4.759 -0.925 25 HG3 LYS 3 3HG LYS 3 0.019 -4.223 -1.317 26 HD2 LYS 3 2HD LYS 3 0.577 -6.863 0.013 27 HD3 LYS 3 3HD LYS 3 0.341 -5.373 0.929 28 HE2 LYS 3 2HE LYS 3 -1.736 -5.657 -1.029 29 HE3 LYS 3 3HE LYS 3 -1.623 -7.127 -0.062 30 HZ1 LYS 3 1HZ LYS 3 -2.787 -4.696 0.646 31 HZ2 LYS 3 2HZ LYS 3 -1.433 -4.899 1.638 32 HZ3 LYS 3 3HZ LYS 3 -2.634 -6.090 1.593 33 H SER 4 H SER 4 0.270 -5.352 -5.376 34 HA SER 4 HA SER 4 1.508 -7.634 -6.773 35 HB2 SER 4 2HB SER 4 -1.405 -6.846 -6.608 36 HB3 SER 4 3HB SER 4 -0.784 -7.999 -7.789 37 HG SER 4 HG SER 4 -0.420 -9.432 -6.232 38 H ARG 5 H ARG 5 0.391 -4.377 -6.921 39 HA ARG 5 HA ARG 5 0.053 -3.986 -9.649 40 HB2 ARG 5 2HB ARG 5 0.874 -2.231 -7.378 41 HB3 ARG 5 3HB ARG 5 1.037 -1.613 -9.016 42 HG2 ARG 5 2HG ARG 5 -1.427 -2.355 -9.283 43 HG3 ARG 5 3HG ARG 5 -1.436 -2.360 -7.518 44 HD2 ARG 5 2HD ARG 5 -1.494 -0.130 -7.416 45 HD3 ARG 5 3HD ARG 5 -0.214 0.035 -8.618 46 HE ARG 5 HE ARG 5 -2.730 -0.697 -9.770 47 HH11 ARG 5 1HH1 ARG 5 -0.815 1.968 -8.608 48 HH12 ARG 5 2HH1 ARG 5 -1.617 3.144 -9.596 49 HH21 ARG 5 1HH2 ARG 5 -3.793 0.842 -11.075 50 HH22 ARG 5 2HH2 ARG 5 -3.311 2.503 -10.998 51 H VAL 6 H VAL 6 2.944 -4.501 -7.817 52 HA VAL 6 HA VAL 6 4.815 -3.395 -9.624 53 HB VAL 6 HB VAL 6 5.335 -5.733 -7.793 54 HG11 VAL 6 1HG1 VAL 6 7.077 -3.555 -8.934 55 HG12 VAL 6 2HG1 VAL 6 7.594 -4.676 -7.673 56 HG13 VAL 6 3HG1 VAL 6 7.161 -5.284 -9.271 57 HG21 VAL 6 1HG2 VAL 6 5.214 -2.793 -7.141 58 HG22 VAL 6 2HG2 VAL 6 4.238 -4.087 -6.446 59 HG23 VAL 6 3HG2 VAL 6 5.965 -4.004 -6.101 60 H ALA 7 H ALA 7 2.821 -6.106 -9.872 61 HA ALA 7 HA ALA 7 4.313 -8.022 -11.171 62 HB1 ALA 7 1HB ALA 7 2.295 -8.874 -12.047 63 HB2 ALA 7 2HB ALA 7 1.873 -8.125 -10.507 64 HB3 ALA 7 3HB ALA 7 1.523 -7.288 -12.019 65 H ARG 8 H ARG 8 3.398 -4.888 -12.288 66 HA ARG 8 HA ARG 8 3.364 -5.114 -15.020 67 HB2 ARG 8 2HB ARG 8 4.829 -2.902 -13.584 68 HB3 ARG 8 3HB ARG 8 4.002 -2.818 -15.134 69 HG2 ARG 8 2HG ARG 8 2.117 -3.659 -13.195 70 HG3 ARG 8 3HG ARG 8 2.985 -2.267 -12.547 71 HD2 ARG 8 2HD ARG 8 1.901 -2.262 -15.342 72 HD3 ARG 8 3HD ARG 8 0.877 -1.853 -13.967 73 HE ARG 8 HE ARG 8 3.337 -0.378 -14.031 74 HH11 ARG 8 1HH1 ARG 8 0.063 -0.516 -15.207 75 HH12 ARG 8 2HH1 ARG 8 -0.041 1.188 -15.502 76 HH21 ARG 8 1HH2 ARG 8 3.212 1.867 -14.415 77 HH22 ARG 8 2HH2 ARG 8 1.751 2.542 -15.052 78 H GLY 9 H GLY 9 6.057 -5.517 -12.875 79 HA2 GLY 9 2HA GLY 9 8.256 -5.018 -14.430 80 HA3 GLY 9 3HA GLY 9 8.166 -6.344 -13.281 81 H TRP 10 H TRP 10 6.318 -7.998 -14.448 82 HA TRP 10 HA TRP 10 7.510 -8.628 -17.066 83 HB2 TRP 10 2HB TRP 10 7.117 -11.077 -16.375 84 HB3 TRP 10 3HB TRP 10 8.486 -10.232 -15.656 85 HD1 TRP 10 HD1 TRP 10 5.507 -12.225 -14.735 86 HE1 TRP 10 HE1 TRP 10 5.141 -12.172 -12.188 87 HE3 TRP 10 HE3 TRP 10 8.711 -8.427 -13.535 88 HZ2 TRP 10 HZ2 TRP 10 6.086 -10.712 -9.964 89 HZ3 TRP 10 HZ3 TRP 10 8.921 -7.762 -11.175 90 HH2 TRP 10 HH2 TRP 10 7.634 -8.882 -9.428 91 H GLY 11 H GLY 11 5.527 -11.096 -16.381 92 HA2 GLY 11 2HA GLY 11 3.127 -9.725 -17.420 93 HA3 GLY 11 3HA GLY 11 3.698 -11.228 -18.127 94 H ARG 12 H ARG 12 2.512 -12.905 -17.536 95 HA ARG 12 HA ARG 12 1.521 -13.010 -14.764 96 HB2 ARG 12 2HB ARG 12 -0.385 -14.416 -15.852 97 HB3 ARG 12 3HB ARG 12 -0.454 -12.660 -15.921 98 HG2 ARG 12 2HG ARG 12 0.889 -14.024 -18.172 99 HG3 ARG 12 3HG ARG 12 -0.861 -14.220 -18.043 100 HD2 ARG 12 2HD ARG 12 0.118 -11.475 -17.668 101 HD3 ARG 12 3HD ARG 12 0.376 -12.143 -19.279 102 HE ARG 12 HE ARG 12 -2.099 -11.305 -18.159 103 HH11 ARG 12 1HH1 ARG 12 -0.669 -13.654 -20.295 104 HH12 ARG 12 2HH1 ARG 12 -2.114 -13.881 -21.224 105 HH21 ARG 12 1HH2 ARG 12 -4.007 -11.595 -19.375 106 HH22 ARG 12 2HH2 ARG 12 -4.011 -12.709 -20.701 107 H LYS 13 H LYS 13 2.786 -14.731 -17.533 108 HA LYS 13 HA LYS 13 2.555 -17.361 -16.778 109 HB2 LYS 13 2HB LYS 13 4.932 -17.541 -17.891 110 HB3 LYS 13 3HB LYS 13 3.521 -17.126 -18.854 111 HG2 LYS 13 2HG LYS 13 4.106 -14.816 -18.854 112 HG3 LYS 13 3HG LYS 13 5.390 -15.086 -17.673 113 HD2 LYS 13 2HD LYS 13 6.792 -15.338 -19.385 114 HD3 LYS 13 3HD LYS 13 5.951 -16.841 -19.769 115 HE2 LYS 13 2HE LYS 13 4.328 -14.861 -20.832 116 HE3 LYS 13 3HE LYS 13 5.964 -14.304 -21.176 117 HZ1 LYS 13 1HZ LYS 13 4.682 -16.836 -22.009 118 HZ2 LYS 13 2HZ LYS 13 6.360 -16.633 -22.047 119 HZ3 LYS 13 3HZ LYS 13 5.367 -15.635 -22.985 120 H CYS 14 H CYS 14 4.534 -14.890 -15.371 121 HA CYS 14 HA CYS 14 6.208 -16.741 -13.912 122 HB2 CYS 14 2HB CYS 14 6.389 -14.037 -14.639 123 HB3 CYS 14 3HB CYS 14 6.255 -14.038 -12.885 124 HG CYS 14 HG CYS 14 8.481 -15.601 -12.434 125 HA PRO 15 HA PRO 15 3.419 -17.273 -10.529 126 HB2 PRO 15 2HB PRO 15 5.194 -18.312 -8.758 127 HB3 PRO 15 3HB PRO 15 4.546 -19.233 -10.120 128 HG2 PRO 15 2HG PRO 15 7.174 -17.822 -9.866 129 HG3 PRO 15 3HG PRO 15 6.823 -19.420 -10.552 130 HD2 PRO 15 2HD PRO 15 7.207 -17.226 -12.092 131 HD3 PRO 15 3HD PRO 15 6.110 -18.541 -12.560 132 H LEU 16 H LEU 16 6.523 -15.638 -10.085 133 HA LEU 16 HA LEU 16 6.498 -14.608 -7.628 134 HB2 LEU 16 2HB LEU 16 6.801 -12.490 -9.642 135 HB3 LEU 16 3HB LEU 16 7.906 -13.019 -8.375 136 HG LEU 16 HG LEU 16 7.507 -14.452 -10.999 137 HD11 LEU 16 1HD1 LEU 16 8.708 -12.796 -11.882 138 HD12 LEU 16 2HD1 LEU 16 10.063 -13.435 -10.952 139 HD13 LEU 16 3HD1 LEU 16 9.091 -12.116 -10.300 140 HD21 LEU 16 1HD2 LEU 16 8.401 -16.091 -9.720 141 HD22 LEU 16 2HD2 LEU 16 9.087 -14.961 -8.553 142 HD23 LEU 16 3HD2 LEU 16 9.900 -15.240 -10.094 143 H PHE 17 H PHE 17 4.657 -13.098 -10.285 144 HA PHE 17 HA PHE 17 2.774 -12.076 -8.267 145 HB2 PHE 17 2HB PHE 17 4.115 -10.617 -10.514 146 HB3 PHE 17 3HB PHE 17 2.507 -10.122 -9.995 147 HD1 PHE 17 HD1 PHE 17 5.590 -11.210 -8.193 148 HD2 PHE 17 HD2 PHE 17 2.600 -8.226 -8.715 149 HE1 PHE 17 HE1 PHE 17 6.591 -9.894 -6.371 150 HE2 PHE 17 HE2 PHE 17 3.596 -6.905 -6.894 151 HZ PHE 17 HZ PHE 17 5.595 -7.738 -5.720 152 H GLY 18 H GLY 18 2.939 -14.354 -10.356 153 HA2 GLY 18 2HA GLY 18 0.162 -14.106 -11.171 154 HA3 GLY 18 3HA GLY 18 1.325 -14.187 -12.486 Start of MODEL 16 1 H1 LYS 1 H LYS 1 0.613 1.054 -0.805 2 HA LYS 1 HA LYS 1 3.298 0.617 -1.900 3 HB2 LYS 1 2HB LYS 1 2.659 -0.208 0.632 4 HB3 LYS 1 3HB LYS 1 2.260 -1.634 -0.318 5 HG2 LYS 1 2HG LYS 1 4.397 -2.187 -0.418 6 HG3 LYS 1 3HG LYS 1 4.781 -0.648 -1.192 7 HD2 LYS 1 2HD LYS 1 5.540 0.274 0.727 8 HD3 LYS 1 3HD LYS 1 4.324 -0.534 1.718 9 HE2 LYS 1 2HE LYS 1 5.581 -2.502 1.858 10 HE3 LYS 1 3HE LYS 1 6.594 -2.058 0.485 11 HZ1 LYS 1 1HZ LYS 1 7.079 -1.609 3.195 12 HZ2 LYS 1 2HZ LYS 1 6.859 -0.096 2.472 13 HZ3 LYS 1 3HZ LYS 1 8.037 -1.154 1.877 14 H ASN 2 H ASN 2 3.447 -1.476 -3.093 15 HA ASN 2 HA ASN 2 0.861 -2.130 -4.346 16 HB2 ASN 2 2HB ASN 2 3.617 -1.918 -5.561 17 HB3 ASN 2 3HB ASN 2 2.275 -2.712 -6.380 18 HD21 ASN 2 1HD2 ASN 2 3.158 -0.829 -7.824 19 HD22 ASN 2 2HD2 ASN 2 2.246 0.635 -7.717 20 H LYS 3 H LYS 3 0.221 -4.051 -3.618 21 HA LYS 3 HA LYS 3 2.099 -6.069 -2.780 22 HB2 LYS 3 2HB LYS 3 -0.911 -6.206 -3.045 23 HB3 LYS 3 3HB LYS 3 0.104 -7.389 -2.231 24 HG2 LYS 3 2HG LYS 3 0.071 -4.518 -1.378 25 HG3 LYS 3 3HG LYS 3 -1.137 -5.669 -0.803 26 HD2 LYS 3 2HD LYS 3 0.332 -6.152 0.814 27 HD3 LYS 3 3HD LYS 3 1.226 -7.025 -0.433 28 HE2 LYS 3 2HE LYS 3 2.915 -5.678 0.206 29 HE3 LYS 3 3HE LYS 3 2.123 -4.518 -0.861 30 HZ1 LYS 3 1HZ LYS 3 1.386 -3.291 0.869 31 HZ2 LYS 3 2HZ LYS 3 2.728 -3.967 1.645 32 HZ3 LYS 3 3HZ LYS 3 1.188 -4.619 1.897 33 H SER 4 H SER 4 -0.243 -5.680 -5.414 34 HA SER 4 HA SER 4 1.103 -7.896 -6.816 35 HB2 SER 4 2HB SER 4 -1.823 -7.163 -6.739 36 HB3 SER 4 3HB SER 4 -1.145 -8.198 -7.996 37 HG SER 4 HG SER 4 -1.228 -9.773 -6.626 38 H ARG 5 H ARG 5 -0.031 -4.646 -6.905 39 HA ARG 5 HA ARG 5 -0.221 -4.154 -9.633 40 HB2 ARG 5 2HB ARG 5 0.449 -2.482 -7.253 41 HB3 ARG 5 3HB ARG 5 0.706 -1.800 -8.853 42 HG2 ARG 5 2HG ARG 5 -1.731 -2.546 -9.297 43 HG3 ARG 5 3HG ARG 5 -1.846 -2.620 -7.538 44 HD2 ARG 5 2HD ARG 5 -2.264 -0.436 -7.559 45 HD3 ARG 5 3HD ARG 5 -0.595 -0.191 -8.072 46 HE ARG 5 HE ARG 5 -2.007 -0.740 -10.369 47 HH11 ARG 5 1HH1 ARG 5 -2.123 1.656 -7.845 48 HH12 ARG 5 2HH1 ARG 5 -2.751 2.899 -8.875 49 HH21 ARG 5 1HH2 ARG 5 -2.833 0.889 -11.735 50 HH22 ARG 5 2HH2 ARG 5 -3.155 2.462 -11.087 51 H VAL 6 H VAL 6 2.565 -4.724 -7.662 52 HA VAL 6 HA VAL 6 4.521 -3.538 -9.332 53 HB VAL 6 HB VAL 6 4.946 -5.901 -7.505 54 HG11 VAL 6 1HG1 VAL 6 6.758 -3.757 -8.594 55 HG12 VAL 6 2HG1 VAL 6 7.207 -4.829 -7.267 56 HG13 VAL 6 3HG1 VAL 6 6.857 -5.497 -8.862 57 HG21 VAL 6 1HG2 VAL 6 4.948 -2.963 -6.817 58 HG22 VAL 6 2HG2 VAL 6 3.764 -4.157 -6.283 59 HG23 VAL 6 3HG2 VAL 6 5.438 -4.270 -5.739 60 H ALA 7 H ALA 7 2.572 -6.250 -9.768 61 HA ALA 7 HA ALA 7 4.152 -8.130 -11.013 62 HB1 ALA 7 1HB ALA 7 1.415 -7.373 -12.004 63 HB2 ALA 7 2HB ALA 7 2.194 -8.955 -12.055 64 HB3 ALA 7 3HB ALA 7 1.683 -8.273 -10.511 65 H ARG 8 H ARG 8 3.311 -4.970 -12.107 66 HA ARG 8 HA ARG 8 3.448 -5.126 -14.840 67 HB2 ARG 8 2HB ARG 8 4.831 -2.955 -13.270 68 HB3 ARG 8 3HB ARG 8 4.084 -2.831 -14.857 69 HG2 ARG 8 2HG ARG 8 2.091 -3.714 -13.060 70 HG3 ARG 8 3HG ARG 8 2.937 -2.365 -12.298 71 HD2 ARG 8 2HD ARG 8 1.163 -1.421 -13.546 72 HD3 ARG 8 3HD ARG 8 2.637 -1.108 -14.462 73 HE ARG 8 HE ARG 8 1.434 -3.511 -15.336 74 HH11 ARG 8 1HH1 ARG 8 1.042 -0.054 -15.468 75 HH12 ARG 8 2HH1 ARG 8 0.205 -0.077 -16.985 76 HH21 ARG 8 1HH2 ARG 8 0.333 -3.553 -17.333 77 HH22 ARG 8 2HH2 ARG 8 -0.199 -2.067 -18.044 78 H GLY 9 H GLY 9 5.999 -5.597 -12.542 79 HA2 GLY 9 2HA GLY 9 8.294 -5.064 -13.940 80 HA3 GLY 9 3HA GLY 9 8.128 -6.422 -12.838 81 H TRP 10 H TRP 10 6.356 -8.037 -14.164 82 HA TRP 10 HA TRP 10 7.708 -8.595 -16.721 83 HB2 TRP 10 2HB TRP 10 7.270 -11.061 -16.125 84 HB3 TRP 10 3HB TRP 10 8.593 -10.242 -15.300 85 HD1 TRP 10 HD1 TRP 10 5.560 -12.251 -14.620 86 HE1 TRP 10 HE1 TRP 10 5.039 -12.268 -12.100 87 HE3 TRP 10 HE3 TRP 10 8.690 -8.497 -13.118 88 HZ2 TRP 10 HZ2 TRP 10 5.846 -10.875 -9.782 89 HZ3 TRP 10 HZ3 TRP 10 8.755 -7.901 -10.732 90 HH2 TRP 10 HH2 TRP 10 7.362 -9.065 -9.100 91 H GLY 11 H GLY 11 5.682 -11.076 -16.229 92 HA2 GLY 11 2HA GLY 11 3.355 -9.669 -17.379 93 HA3 GLY 11 3HA GLY 11 3.966 -11.157 -18.086 94 H ARG 12 H ARG 12 2.738 -12.841 -17.615 95 HA ARG 12 HA ARG 12 1.578 -13.013 -14.912 96 HB2 ARG 12 2HB ARG 12 -0.265 -14.376 -16.148 97 HB3 ARG 12 3HB ARG 12 -0.319 -12.619 -16.185 98 HG2 ARG 12 2HG ARG 12 1.153 -13.945 -18.376 99 HG3 ARG 12 3HG ARG 12 -0.602 -14.134 -18.359 100 HD2 ARG 12 2HD ARG 12 0.108 -11.406 -17.810 101 HD3 ARG 12 3HD ARG 12 0.885 -11.946 -19.298 102 HE ARG 12 HE ARG 12 -1.758 -12.763 -19.435 103 HH11 ARG 12 1HH1 ARG 12 0.006 -9.769 -19.232 104 HH12 ARG 12 2HH1 ARG 12 -1.187 -8.856 -20.097 105 HH21 ARG 12 1HH2 ARG 12 -3.335 -11.573 -20.574 106 HH22 ARG 12 2HH2 ARG 12 -3.087 -9.884 -20.859 107 H LYS 13 H LYS 13 2.999 -14.670 -17.645 108 HA LYS 13 HA LYS 13 2.714 -17.316 -16.974 109 HB2 LYS 13 2HB LYS 13 5.153 -17.482 -17.945 110 HB3 LYS 13 3HB LYS 13 3.806 -17.032 -18.981 111 HG2 LYS 13 2HG LYS 13 4.403 -14.727 -18.883 112 HG3 LYS 13 3HG LYS 13 5.609 -15.037 -17.632 113 HD2 LYS 13 2HD LYS 13 7.047 -15.076 -19.365 114 HD3 LYS 13 3HD LYS 13 6.447 -16.722 -19.586 115 HE2 LYS 13 2HE LYS 13 5.513 -16.200 -21.540 116 HE3 LYS 13 3HE LYS 13 4.713 -14.787 -20.853 117 HZ1 LYS 13 1HZ LYS 13 6.260 -14.226 -22.653 118 HZ2 LYS 13 2HZ LYS 13 7.543 -14.857 -21.750 119 HZ3 LYS 13 3HZ LYS 13 6.700 -13.501 -21.189 120 H CYS 14 H CYS 14 4.616 -14.894 -15.386 121 HA CYS 14 HA CYS 14 6.189 -16.792 -13.877 122 HB2 CYS 14 2HB CYS 14 6.423 -14.070 -14.518 123 HB3 CYS 14 3HB CYS 14 6.184 -14.118 -12.776 124 HG CYS 14 HG CYS 14 8.851 -14.977 -14.582 125 HA PRO 15 HA PRO 15 3.195 -17.398 -10.687 126 HB2 PRO 15 2HB PRO 15 4.853 -18.499 -8.841 127 HB3 PRO 15 3HB PRO 15 4.285 -19.377 -10.265 128 HG2 PRO 15 2HG PRO 15 6.900 -17.991 -9.813 129 HG3 PRO 15 3HG PRO 15 6.583 -19.567 -10.563 130 HD2 PRO 15 2HD PRO 15 7.072 -17.334 -12.015 131 HD3 PRO 15 3HD PRO 15 5.998 -18.628 -12.585 132 H LEU 16 H LEU 16 6.272 -15.795 -10.013 133 HA LEU 16 HA LEU 16 6.104 -14.834 -7.533 134 HB2 LEU 16 2HB LEU 16 6.540 -12.663 -9.466 135 HB3 LEU 16 3HB LEU 16 7.563 -13.233 -8.149 136 HG LEU 16 HG LEU 16 7.318 -14.592 -10.831 137 HD11 LEU 16 1HD1 LEU 16 9.872 -13.591 -10.596 138 HD12 LEU 16 2HD1 LEU 16 8.864 -12.284 -9.975 139 HD13 LEU 16 3HD1 LEU 16 8.580 -12.923 -11.594 140 HD21 LEU 16 1HD2 LEU 16 9.653 -15.407 -9.790 141 HD22 LEU 16 2HD2 LEU 16 8.134 -16.275 -9.563 142 HD23 LEU 16 3HD2 LEU 16 8.726 -15.188 -8.306 143 H PHE 17 H PHE 17 4.434 -13.240 -10.254 144 HA PHE 17 HA PHE 17 2.439 -12.259 -8.325 145 HB2 PHE 17 2HB PHE 17 3.917 -10.752 -10.452 146 HB3 PHE 17 3HB PHE 17 2.284 -10.260 -10.015 147 HD1 PHE 17 HD1 PHE 17 2.319 -8.392 -8.693 148 HD2 PHE 17 HD2 PHE 17 5.244 -11.419 -8.057 149 HE1 PHE 17 HE1 PHE 17 3.213 -7.123 -6.784 150 HE2 PHE 17 HE2 PHE 17 6.141 -10.155 -6.146 151 HZ PHE 17 HZ PHE 17 5.126 -8.004 -5.507 152 H GLY 18 H GLY 18 2.719 -14.483 -10.462 153 HA2 GLY 18 2HA GLY 18 0.017 -14.107 -11.513 154 HA3 GLY 18 3HA GLY 18 1.304 -14.356 -12.683 Start of MODEL 17 1 H1 LYS 1 H LYS 1 1.706 0.039 0.640 2 HA LYS 1 HA LYS 1 3.580 0.561 -1.542 3 HB2 LYS 1 2HB LYS 1 3.806 -0.812 0.872 4 HB3 LYS 1 3HB LYS 1 3.745 -2.082 -0.344 5 HG2 LYS 1 2HG LYS 1 5.712 -1.422 -1.332 6 HG3 LYS 1 3HG LYS 1 5.572 0.239 -0.749 7 HD2 LYS 1 2HD LYS 1 5.880 -1.961 1.239 8 HD3 LYS 1 3HD LYS 1 7.295 -1.440 0.322 9 HE2 LYS 1 2HE LYS 1 7.037 0.817 1.110 10 HE3 LYS 1 3HE LYS 1 5.509 0.414 1.891 11 HZ1 LYS 1 1HZ LYS 1 8.201 0.020 2.820 12 HZ2 LYS 1 2HZ LYS 1 7.236 -1.359 2.979 13 HZ3 LYS 1 3HZ LYS 1 6.756 0.096 3.696 14 H ASN 2 H ASN 2 3.790 -0.846 -3.332 15 HA ASN 2 HA ASN 2 1.276 -1.875 -4.278 16 HB2 ASN 2 2HB ASN 2 4.037 -1.738 -5.492 17 HB3 ASN 2 3HB ASN 2 2.671 -2.481 -6.318 18 HD21 ASN 2 1HD2 ASN 2 4.205 -0.206 -7.151 19 HD22 ASN 2 2HD2 ASN 2 3.111 1.127 -7.260 20 H LYS 3 H LYS 3 0.576 -3.781 -3.569 21 HA LYS 3 HA LYS 3 2.393 -5.864 -2.751 22 HB2 LYS 3 2HB LYS 3 -0.620 -5.901 -3.005 23 HB3 LYS 3 3HB LYS 3 0.359 -7.125 -2.207 24 HG2 LYS 3 2HG LYS 3 1.182 -5.010 -0.827 25 HG3 LYS 3 3HG LYS 3 -0.413 -4.416 -1.296 26 HD2 LYS 3 2HD LYS 3 -0.049 -7.141 -0.089 27 HD3 LYS 3 3HD LYS 3 -0.200 -5.701 0.920 28 HE2 LYS 3 2HE LYS 3 -2.404 -5.603 0.599 29 HE3 LYS 3 3HE LYS 3 -2.229 -5.787 -1.146 30 HZ1 LYS 3 1HZ LYS 3 -2.059 -8.175 -0.845 31 HZ2 LYS 3 2HZ LYS 3 -3.504 -7.599 -0.181 32 HZ3 LYS 3 3HZ LYS 3 -2.211 -8.004 0.831 33 H SER 4 H SER 4 0.056 -5.376 -5.373 34 HA SER 4 HA SER 4 1.323 -7.625 -6.797 35 HB2 SER 4 2HB SER 4 -1.576 -6.792 -6.705 36 HB3 SER 4 3HB SER 4 -0.937 -7.835 -7.976 37 HG SER 4 HG SER 4 -1.654 -8.478 -5.476 38 H ARG 5 H ARG 5 0.297 -4.338 -6.859 39 HA ARG 5 HA ARG 5 0.124 -3.819 -9.582 40 HB2 ARG 5 2HB ARG 5 0.850 -2.188 -7.190 41 HB3 ARG 5 3HB ARG 5 1.128 -1.503 -8.786 42 HG2 ARG 5 2HG ARG 5 -1.333 -2.164 -9.233 43 HG3 ARG 5 3HG ARG 5 -1.449 -2.248 -7.474 44 HD2 ARG 5 2HD ARG 5 -1.764 -0.049 -7.451 45 HD3 ARG 5 3HD ARG 5 -0.110 0.145 -8.030 46 HE ARG 5 HE ARG 5 -0.938 0.709 -10.085 47 HH11 ARG 5 1HH1 ARG 5 -3.449 -0.842 -8.238 48 HH12 ARG 5 2HH1 ARG 5 -4.689 -0.511 -9.402 49 HH21 ARG 5 1HH2 ARG 5 -2.562 1.150 -11.625 50 HH22 ARG 5 2HH2 ARG 5 -4.183 0.621 -11.328 51 H VAL 6 H VAL 6 2.891 -4.493 -7.617 52 HA VAL 6 HA VAL 6 4.884 -3.360 -9.279 53 HB VAL 6 HB VAL 6 5.231 -5.749 -7.469 54 HG11 VAL 6 1HG1 VAL 6 7.153 -5.401 -8.823 55 HG12 VAL 6 2HG1 VAL 6 7.114 -3.659 -8.543 56 HG13 VAL 6 3HG1 VAL 6 7.526 -4.757 -7.225 57 HG21 VAL 6 1HG2 VAL 6 5.781 -4.146 -5.694 58 HG22 VAL 6 2HG2 VAL 6 5.330 -2.816 -6.762 59 HG23 VAL 6 3HG2 VAL 6 4.110 -3.975 -6.233 60 H ALA 7 H ALA 7 2.845 -6.001 -9.736 61 HA ALA 7 HA ALA 7 4.360 -7.927 -10.992 62 HB1 ALA 7 1HB ALA 7 1.653 -7.063 -11.981 63 HB2 ALA 7 2HB ALA 7 2.376 -8.671 -12.049 64 HB3 ALA 7 3HB ALA 7 1.887 -7.988 -10.498 65 H ARG 8 H ARG 8 3.630 -4.731 -12.068 66 HA ARG 8 HA ARG 8 3.773 -4.877 -14.802 67 HB2 ARG 8 2HB ARG 8 5.221 -2.759 -13.216 68 HB3 ARG 8 3HB ARG 8 4.477 -2.602 -14.802 69 HG2 ARG 8 2HG ARG 8 2.455 -3.431 -13.017 70 HG3 ARG 8 3HG ARG 8 3.345 -2.122 -12.237 71 HD2 ARG 8 2HD ARG 8 1.586 -1.127 -13.488 72 HD3 ARG 8 3HD ARG 8 3.086 -0.811 -14.359 73 HE ARG 8 HE ARG 8 1.799 -3.173 -15.294 74 HH11 ARG 8 1HH1 ARG 8 1.728 0.303 -15.470 75 HH12 ARG 8 2HH1 ARG 8 0.992 0.339 -17.038 76 HH21 ARG 8 1HH2 ARG 8 0.828 -3.139 -17.358 77 HH22 ARG 8 2HH2 ARG 8 0.479 -1.619 -18.110 78 H GLY 9 H GLY 9 6.296 -5.447 -12.496 79 HA2 GLY 9 2HA GLY 9 8.614 -4.978 -13.878 80 HA3 GLY 9 3HA GLY 9 8.398 -6.338 -12.787 81 H TRP 10 H TRP 10 6.574 -7.878 -14.141 82 HA TRP 10 HA TRP 10 7.926 -8.464 -16.691 83 HB2 TRP 10 2HB TRP 10 7.394 -10.918 -16.118 84 HB3 TRP 10 3HB TRP 10 8.740 -10.154 -15.278 85 HD1 TRP 10 HD1 TRP 10 5.624 -12.049 -14.637 86 HE1 TRP 10 HE1 TRP 10 5.086 -12.070 -12.120 87 HE3 TRP 10 HE3 TRP 10 8.894 -8.442 -13.079 88 HZ2 TRP 10 HZ2 TRP 10 5.935 -10.734 -9.784 89 HZ3 TRP 10 HZ3 TRP 10 8.969 -7.872 -10.686 90 HH2 TRP 10 HH2 TRP 10 7.519 -8.995 -9.074 91 H GLY 11 H GLY 11 5.808 -10.874 -16.234 92 HA2 GLY 11 2HA GLY 11 3.544 -9.375 -17.395 93 HA3 GLY 11 3HA GLY 11 4.104 -10.883 -18.103 94 H ARG 12 H ARG 12 2.813 -12.523 -17.647 95 HA ARG 12 HA ARG 12 1.626 -12.663 -14.955 96 HB2 ARG 12 2HB ARG 12 -0.261 -13.945 -16.215 97 HB3 ARG 12 3HB ARG 12 -0.248 -12.187 -16.229 98 HG2 ARG 12 2HG ARG 12 0.251 -12.067 -18.441 99 HG3 ARG 12 3HG ARG 12 1.167 -13.576 -18.429 100 HD2 ARG 12 2HD ARG 12 -0.636 -14.405 -19.485 101 HD3 ARG 12 3HD ARG 12 -1.323 -14.482 -17.863 102 HE ARG 12 HE ARG 12 -1.959 -11.985 -18.704 103 HH11 ARG 12 1HH1 ARG 12 -2.404 -15.167 -20.044 104 HH12 ARG 12 2HH1 ARG 12 -3.863 -14.752 -20.881 105 HH21 ARG 12 1HH2 ARG 12 -3.879 -11.427 -19.802 106 HH22 ARG 12 2HH2 ARG 12 -4.701 -12.625 -20.744 107 H LYS 13 H LYS 13 2.993 -14.359 -17.693 108 HA LYS 13 HA LYS 13 2.597 -16.996 -17.030 109 HB2 LYS 13 2HB LYS 13 5.026 -17.255 -18.009 110 HB3 LYS 13 3HB LYS 13 3.692 -16.753 -19.039 111 HG2 LYS 13 2HG LYS 13 4.376 -14.472 -18.941 112 HG3 LYS 13 3HG LYS 13 5.576 -14.829 -17.697 113 HD2 LYS 13 2HD LYS 13 7.000 -14.916 -19.439 114 HD3 LYS 13 3HD LYS 13 6.344 -16.541 -19.653 115 HE2 LYS 13 2HE LYS 13 5.397 -15.993 -21.595 116 HE3 LYS 13 3HE LYS 13 4.680 -14.534 -20.913 117 HZ1 LYS 13 1HZ LYS 13 6.094 -13.684 -22.488 118 HZ2 LYS 13 2HZ LYS 13 7.274 -14.872 -22.254 119 HZ3 LYS 13 3HZ LYS 13 7.085 -13.633 -21.118 120 H CYS 14 H CYS 14 4.589 -14.656 -15.435 121 HA CYS 14 HA CYS 14 6.103 -16.614 -13.945 122 HB2 CYS 14 2HB CYS 14 6.413 -13.891 -14.558 123 HB3 CYS 14 3HB CYS 14 6.183 -13.955 -12.815 124 HG CYS 14 HG CYS 14 8.530 -15.823 -14.459 125 HA PRO 15 HA PRO 15 3.089 -17.160 -10.761 126 HB2 PRO 15 2HB PRO 15 4.709 -18.348 -8.935 127 HB3 PRO 15 3HB PRO 15 4.105 -19.183 -10.371 128 HG2 PRO 15 2HG PRO 15 6.771 -17.903 -9.906 129 HG3 PRO 15 3HG PRO 15 6.394 -19.454 -10.678 130 HD2 PRO 15 2HD PRO 15 6.962 -17.220 -12.098 131 HD3 PRO 15 3HD PRO 15 5.840 -18.465 -12.684 132 H LEU 16 H LEU 16 6.219 -15.668 -10.086 133 HA LEU 16 HA LEU 16 6.103 -14.742 -7.589 134 HB2 LEU 16 2HB LEU 16 6.589 -12.557 -9.495 135 HB3 LEU 16 3HB LEU 16 7.604 -13.175 -8.193 136 HG LEU 16 HG LEU 16 7.301 -14.485 -10.894 137 HD11 LEU 16 1HD1 LEU 16 8.914 -12.239 -10.019 138 HD12 LEU 16 2HD1 LEU 16 8.628 -12.864 -11.643 139 HD13 LEU 16 3HD1 LEU 16 9.892 -13.570 -10.636 140 HD21 LEU 16 1HD2 LEU 16 9.611 -15.398 -9.878 141 HD22 LEU 16 2HD2 LEU 16 8.064 -16.216 -9.657 142 HD23 LEU 16 3HD2 LEU 16 8.699 -15.170 -8.385 143 H PHE 17 H PHE 17 4.451 -13.067 -10.270 144 HA PHE 17 HA PHE 17 2.517 -12.039 -8.304 145 HB2 PHE 17 2HB PHE 17 4.006 -10.569 -10.448 146 HB3 PHE 17 3HB PHE 17 2.393 -10.032 -9.990 147 HD1 PHE 17 HD1 PHE 17 2.513 -8.157 -8.680 148 HD2 PHE 17 HD2 PHE 17 5.326 -11.290 -8.055 149 HE1 PHE 17 HE1 PHE 17 3.465 -6.918 -6.779 150 HE2 PHE 17 HE2 PHE 17 6.282 -10.056 -6.153 151 HZ PHE 17 HZ PHE 17 5.352 -7.868 -5.512 152 H GLY 18 H GLY 18 2.704 -14.255 -10.469 153 HA2 GLY 18 2HA GLY 18 1.315 -15.214 -12.032 154 HA3 GLY 18 3HA GLY 18 0.030 -14.466 -11.094 Start of MODEL 18 1 H1 LYS 1 H LYS 1 2.695 1.960 -0.514 2 HA LYS 1 HA LYS 1 4.224 0.318 -1.836 3 HB2 LYS 1 2HB LYS 1 2.653 -0.011 0.556 4 HB3 LYS 1 3HB LYS 1 2.792 -1.549 -0.285 5 HG2 LYS 1 2HG LYS 1 4.656 -1.653 1.008 6 HG3 LYS 1 3HG LYS 1 5.334 -0.852 -0.412 7 HD2 LYS 1 2HD LYS 1 5.564 1.146 0.657 8 HD3 LYS 1 3HD LYS 1 4.159 0.877 1.692 9 HE2 LYS 1 2HE LYS 1 6.602 -0.803 2.048 10 HE3 LYS 1 3HE LYS 1 6.573 0.836 2.697 11 HZ1 LYS 1 1HZ LYS 1 5.654 -0.161 4.463 12 HZ2 LYS 1 2HZ LYS 1 5.171 -1.529 3.593 13 HZ3 LYS 1 3HZ LYS 1 4.227 -0.126 3.554 14 H ASN 2 H ASN 2 4.206 -1.172 -3.414 15 HA ASN 2 HA ASN 2 1.599 -1.908 -4.544 16 HB2 ASN 2 2HB ASN 2 4.372 -1.860 -5.744 17 HB3 ASN 2 3HB ASN 2 2.972 -2.538 -6.570 18 HD21 ASN 2 1HD2 ASN 2 3.827 -0.797 -8.084 19 HD22 ASN 2 2HD2 ASN 2 3.100 0.764 -7.930 20 H LYS 3 H LYS 3 0.879 -3.792 -3.794 21 HA LYS 3 HA LYS 3 2.684 -5.880 -2.949 22 HB2 LYS 3 2HB LYS 3 -0.334 -5.876 -3.147 23 HB3 LYS 3 3HB LYS 3 0.641 -7.101 -2.346 24 HG2 LYS 3 2HG LYS 3 1.524 -4.979 -1.018 25 HG3 LYS 3 3HG LYS 3 -0.067 -4.363 -1.470 26 HD2 LYS 3 2HD LYS 3 0.313 -7.055 -0.183 27 HD3 LYS 3 3HD LYS 3 0.107 -5.577 0.761 28 HE2 LYS 3 2HE LYS 3 -1.973 -5.285 -0.858 29 HE3 LYS 3 3HE LYS 3 -1.839 -7.041 -0.944 30 HZ1 LYS 3 1HZ LYS 3 -1.617 -6.369 1.730 31 HZ2 LYS 3 2HZ LYS 3 -2.924 -7.127 0.968 32 HZ3 LYS 3 3HZ LYS 3 -2.900 -5.443 1.131 33 H SER 4 H SER 4 0.307 -5.411 -5.538 34 HA SER 4 HA SER 4 1.517 -7.704 -6.941 35 HB2 SER 4 2HB SER 4 -1.368 -6.836 -6.798 36 HB3 SER 4 3HB SER 4 -0.773 -7.899 -8.074 37 HG SER 4 HG SER 4 0.100 -9.145 -6.148 38 H ARG 5 H ARG 5 0.525 -4.407 -7.050 39 HA ARG 5 HA ARG 5 0.303 -3.936 -9.776 40 HB2 ARG 5 2HB ARG 5 1.166 -2.254 -7.454 41 HB3 ARG 5 3HB ARG 5 1.310 -1.615 -9.086 42 HG2 ARG 5 2HG ARG 5 -1.291 -2.803 -8.317 43 HG3 ARG 5 3HG ARG 5 -0.852 -1.253 -7.596 44 HD2 ARG 5 2HD ARG 5 -0.273 -1.253 -10.413 45 HD3 ARG 5 3HD ARG 5 -1.951 -1.714 -10.132 46 HE ARG 5 HE ARG 5 -0.786 0.872 -9.749 47 HH11 ARG 5 1HH1 ARG 5 -3.303 -1.284 -8.684 48 HH12 ARG 5 2HH1 ARG 5 -4.340 -0.011 -8.132 49 HH21 ARG 5 1HH2 ARG 5 -2.142 2.557 -9.027 50 HH22 ARG 5 2HH2 ARG 5 -3.679 2.174 -8.328 51 H VAL 6 H VAL 6 3.110 -4.588 -7.851 52 HA VAL 6 HA VAL 6 5.081 -3.525 -9.574 53 HB VAL 6 HB VAL 6 5.442 -5.906 -7.758 54 HG11 VAL 6 1HG1 VAL 6 7.743 -4.944 -7.556 55 HG12 VAL 6 2HG1 VAL 6 7.336 -5.539 -9.167 56 HG13 VAL 6 3HG1 VAL 6 7.317 -3.807 -8.834 57 HG21 VAL 6 1HG2 VAL 6 4.370 -4.198 -6.452 58 HG22 VAL 6 2HG2 VAL 6 6.079 -4.245 -6.019 59 HG23 VAL 6 3HG2 VAL 6 5.472 -2.969 -7.074 60 H ALA 7 H ALA 7 3.000 -6.156 -9.938 61 HA ALA 7 HA ALA 7 4.463 -8.107 -11.216 62 HB1 ALA 7 1HB ALA 7 1.732 -7.238 -12.132 63 HB2 ALA 7 2HB ALA 7 2.443 -8.850 -12.203 64 HB3 ALA 7 3HB ALA 7 2.008 -8.147 -10.646 65 H ARG 8 H ARG 8 3.715 -4.921 -12.311 66 HA ARG 8 HA ARG 8 3.774 -5.100 -15.045 67 HB2 ARG 8 2HB ARG 8 5.276 -2.975 -13.520 68 HB3 ARG 8 3HB ARG 8 4.507 -2.831 -15.095 69 HG2 ARG 8 2HG ARG 8 2.519 -3.625 -13.244 70 HG3 ARG 8 3HG ARG 8 3.426 -2.291 -12.527 71 HD2 ARG 8 2HD ARG 8 3.133 -1.295 -14.974 72 HD3 ARG 8 3HD ARG 8 1.721 -2.352 -14.956 73 HE ARG 8 HE ARG 8 1.786 -0.826 -12.591 74 HH11 ARG 8 1HH1 ARG 8 1.213 -0.492 -16.009 75 HH12 ARG 8 2HH1 ARG 8 0.141 0.857 -15.830 76 HH21 ARG 8 1HH2 ARG 8 0.376 0.949 -12.342 77 HH22 ARG 8 2HH2 ARG 8 -0.334 1.677 -13.744 78 H GLY 9 H GLY 9 6.367 -5.651 -12.812 79 HA2 GLY 9 2HA GLY 9 8.641 -5.217 -14.275 80 HA3 GLY 9 3HA GLY 9 8.454 -6.559 -13.156 81 H TRP 10 H TRP 10 6.585 -8.114 -14.421 82 HA TRP 10 HA TRP 10 7.846 -8.746 -17.006 83 HB2 TRP 10 2HB TRP 10 7.328 -11.188 -16.377 84 HB3 TRP 10 3HB TRP 10 8.703 -10.414 -15.594 85 HD1 TRP 10 HD1 TRP 10 5.613 -12.297 -14.818 86 HE1 TRP 10 HE1 TRP 10 5.157 -12.274 -12.285 87 HE3 TRP 10 HE3 TRP 10 8.925 -8.658 -13.431 88 HZ2 TRP 10 HZ2 TRP 10 6.079 -10.894 -10.001 89 HZ3 TRP 10 HZ3 TRP 10 9.076 -8.045 -11.053 90 HH2 TRP 10 HH2 TRP 10 7.681 -9.141 -9.375 91 H GLY 11 H GLY 11 5.739 -11.141 -16.440 92 HA2 GLY 11 2HA GLY 11 3.438 -9.653 -17.541 93 HA3 GLY 11 3HA GLY 11 3.972 -11.169 -18.252 94 H ARG 12 H ARG 12 2.696 -12.802 -17.734 95 HA ARG 12 HA ARG 12 1.600 -12.909 -15.002 96 HB2 ARG 12 2HB ARG 12 -0.325 -14.210 -16.178 97 HB3 ARG 12 3HB ARG 12 -0.313 -12.452 -16.227 98 HG2 ARG 12 2HG ARG 12 0.529 -12.455 -18.467 99 HG3 ARG 12 3HG ARG 12 0.759 -14.204 -18.425 100 HD2 ARG 12 2HD ARG 12 -1.254 -14.253 -19.427 101 HD3 ARG 12 3HD ARG 12 -1.866 -14.020 -17.790 102 HE ARG 12 HE ARG 12 -1.352 -11.508 -18.909 103 HH11 ARG 12 1HH1 ARG 12 -3.514 -14.205 -19.319 104 HH12 ARG 12 2HH1 ARG 12 -4.812 -13.239 -19.939 105 HH21 ARG 12 1HH2 ARG 12 -3.052 -10.225 -19.724 106 HH22 ARG 12 2HH2 ARG 12 -4.548 -10.975 -20.170 107 H LYS 13 H LYS 13 2.885 -14.640 -17.757 108 HA LYS 13 HA LYS 13 2.517 -17.268 -17.055 109 HB2 LYS 13 2HB LYS 13 4.923 -17.533 -18.087 110 HB3 LYS 13 3HB LYS 13 3.565 -17.044 -19.092 111 HG2 LYS 13 2HG LYS 13 4.245 -14.762 -19.035 112 HG3 LYS 13 3HG LYS 13 5.473 -15.102 -17.813 113 HD2 LYS 13 2HD LYS 13 6.866 -15.220 -19.575 114 HD3 LYS 13 3HD LYS 13 6.187 -16.837 -19.780 115 HE2 LYS 13 2HE LYS 13 5.278 -16.271 -21.729 116 HE3 LYS 13 3HE LYS 13 4.487 -14.870 -21.009 117 HZ1 LYS 13 1HZ LYS 13 7.322 -14.548 -21.446 118 HZ2 LYS 13 2HZ LYS 13 6.046 -13.492 -21.791 119 HZ3 LYS 13 3HZ LYS 13 6.423 -14.744 -22.866 120 H CYS 14 H CYS 14 4.551 -14.908 -15.538 121 HA CYS 14 HA CYS 14 6.092 -16.853 -14.056 122 HB2 CYS 14 2HB CYS 14 6.409 -14.146 -14.725 123 HB3 CYS 14 3HB CYS 14 6.213 -14.172 -12.977 124 HG CYS 14 HG CYS 14 8.289 -16.561 -13.733 125 HA PRO 15 HA PRO 15 3.164 -17.326 -10.783 126 HB2 PRO 15 2HB PRO 15 4.831 -18.471 -8.971 127 HB3 PRO 15 3HB PRO 15 4.194 -19.339 -10.373 128 HG2 PRO 15 2HG PRO 15 6.868 -18.045 -10.001 129 HG3 PRO 15 3HG PRO 15 6.475 -19.614 -10.729 130 HD2 PRO 15 2HD PRO 15 7.005 -17.412 -12.213 131 HD3 PRO 15 3HD PRO 15 5.870 -18.670 -12.743 132 H LEU 16 H LEU 16 6.316 -15.832 -10.201 133 HA LEU 16 HA LEU 16 6.246 -14.846 -7.727 134 HB2 LEU 16 2HB LEU 16 6.710 -12.707 -9.689 135 HB3 LEU 16 3HB LEU 16 7.745 -13.304 -8.394 136 HG LEU 16 HG LEU 16 7.383 -14.674 -11.056 137 HD11 LEU 16 1HD1 LEU 16 8.683 -13.055 -11.865 138 HD12 LEU 16 2HD1 LEU 16 9.976 -13.767 -10.900 139 HD13 LEU 16 3HD1 LEU 16 9.036 -12.419 -10.258 140 HD21 LEU 16 1HD2 LEU 16 8.170 -16.374 -9.794 141 HD22 LEU 16 2HD2 LEU 16 8.833 -15.300 -8.562 142 HD23 LEU 16 3HD2 LEU 16 9.713 -15.566 -10.068 143 H PHE 17 H PHE 17 4.566 -13.212 -10.417 144 HA PHE 17 HA PHE 17 2.657 -12.146 -8.446 145 HB2 PHE 17 2HB PHE 17 4.136 -10.707 -10.620 146 HB3 PHE 17 3HB PHE 17 2.533 -10.153 -10.146 147 HD1 PHE 17 HD1 PHE 17 2.664 -8.284 -8.833 148 HD2 PHE 17 HD2 PHE 17 5.501 -11.403 -8.258 149 HE1 PHE 17 HE1 PHE 17 3.650 -7.036 -6.955 150 HE2 PHE 17 HE2 PHE 17 6.491 -10.161 -6.379 151 HZ PHE 17 HZ PHE 17 5.565 -7.975 -5.725 152 H GLY 18 H GLY 18 2.802 -14.393 -10.572 153 HA2 GLY 18 2HA GLY 18 0.970 -13.795 -12.622 154 HA3 GLY 18 3HA GLY 18 1.347 -15.406 -12.029 Start of MODEL 19 1 H1 LYS 1 H LYS 1 1.768 -0.106 0.168 2 HA LYS 1 HA LYS 1 3.536 1.091 -1.758 3 HB2 LYS 1 2HB LYS 1 5.202 -0.730 -1.723 4 HB3 LYS 1 3HB LYS 1 5.198 0.198 -0.229 5 HG2 LYS 1 2HG LYS 1 3.491 -1.744 0.462 6 HG3 LYS 1 3HG LYS 1 4.471 -2.619 -0.717 7 HD2 LYS 1 2HD LYS 1 5.975 -2.935 0.894 8 HD3 LYS 1 3HD LYS 1 6.300 -1.201 0.843 9 HE2 LYS 1 2HE LYS 1 5.052 -0.773 2.707 10 HE3 LYS 1 3HE LYS 1 3.961 -2.128 2.420 11 HZ1 LYS 1 1HZ LYS 1 6.695 -2.212 3.557 12 HZ2 LYS 1 2HZ LYS 1 5.886 -3.598 3.023 13 HZ3 LYS 1 3HZ LYS 1 5.247 -2.684 4.295 14 H ASN 2 H ASN 2 4.064 -0.712 -3.505 15 HA ASN 2 HA ASN 2 1.480 -1.763 -4.293 16 HB2 ASN 2 2HB ASN 2 4.146 -1.567 -5.697 17 HB3 ASN 2 3HB ASN 2 2.755 -2.380 -6.408 18 HD21 ASN 2 1HD2 ASN 2 4.182 -0.038 -7.341 19 HD22 ASN 2 2HD2 ASN 2 3.020 1.236 -7.433 20 H LYS 3 H LYS 3 0.896 -3.672 -3.492 21 HA LYS 3 HA LYS 3 2.836 -5.672 -2.750 22 HB2 LYS 3 2HB LYS 3 -0.185 -5.811 -2.791 23 HB3 LYS 3 3HB LYS 3 0.887 -6.983 -2.036 24 HG2 LYS 3 2HG LYS 3 1.735 -4.811 -0.766 25 HG3 LYS 3 3HG LYS 3 0.094 -4.277 -1.136 26 HD2 LYS 3 2HD LYS 3 0.630 -6.957 0.108 27 HD3 LYS 3 3HD LYS 3 0.495 -5.496 1.089 28 HE2 LYS 3 2HE LYS 3 -1.734 -5.089 0.057 29 HE3 LYS 3 3HE LYS 3 -1.593 -6.644 -0.760 30 HZ1 LYS 3 1HZ LYS 3 -2.740 -6.314 1.624 31 HZ2 LYS 3 2HZ LYS 3 -1.167 -6.703 2.106 32 HZ3 LYS 3 3HZ LYS 3 -2.036 -7.766 1.117 33 H SER 4 H SER 4 0.310 -5.330 -5.215 34 HA SER 4 HA SER 4 1.551 -7.575 -6.667 35 HB2 SER 4 2HB SER 4 -1.360 -6.835 -6.385 36 HB3 SER 4 3HB SER 4 -0.781 -7.880 -7.682 37 HG SER 4 HG SER 4 -1.467 -8.675 -5.351 38 H ARG 5 H ARG 5 0.407 -4.326 -6.740 39 HA ARG 5 HA ARG 5 0.029 -3.885 -9.455 40 HB2 ARG 5 2HB ARG 5 0.925 -2.149 -7.185 41 HB3 ARG 5 3HB ARG 5 0.960 -1.515 -8.825 42 HG2 ARG 5 2HG ARG 5 -1.543 -2.817 -7.927 43 HG3 ARG 5 3HG ARG 5 -1.142 -1.245 -7.232 44 HD2 ARG 5 2HD ARG 5 -0.639 -0.960 -9.951 45 HD3 ARG 5 3HD ARG 5 -2.124 -1.908 -9.873 46 HE ARG 5 HE ARG 5 -2.454 0.178 -8.099 47 HH11 ARG 5 1HH1 ARG 5 -1.881 -0.193 -11.512 48 HH12 ARG 5 2HH1 ARG 5 -2.711 1.265 -11.943 49 HH21 ARG 5 1HH2 ARG 5 -3.550 2.100 -8.653 50 HH22 ARG 5 2HH2 ARG 5 -3.660 2.569 -10.316 51 H VAL 6 H VAL 6 2.953 -4.398 -7.668 52 HA VAL 6 HA VAL 6 4.784 -3.257 -9.499 53 HB VAL 6 HB VAL 6 5.336 -5.584 -7.658 54 HG11 VAL 6 1HG1 VAL 6 7.609 -4.515 -7.604 55 HG12 VAL 6 2HG1 VAL 6 7.146 -5.212 -9.157 56 HG13 VAL 6 3HG1 VAL 6 7.070 -3.466 -8.915 57 HG21 VAL 6 1HG2 VAL 6 5.963 -3.909 -5.972 58 HG22 VAL 6 2HG2 VAL 6 5.378 -2.631 -7.037 59 HG23 VAL 6 3HG2 VAL 6 4.251 -3.820 -6.385 60 H ALA 7 H ALA 7 2.811 -5.978 -9.738 61 HA ALA 7 HA ALA 7 4.298 -7.885 -11.054 62 HB1 ALA 7 1HB ALA 7 2.269 -8.718 -11.956 63 HB2 ALA 7 2HB ALA 7 1.876 -8.026 -10.381 64 HB3 ALA 7 3HB ALA 7 1.496 -7.136 -11.856 65 H ARG 8 H ARG 8 3.379 -4.747 -12.154 66 HA ARG 8 HA ARG 8 3.333 -4.962 -14.886 67 HB2 ARG 8 2HB ARG 8 4.814 -2.756 -13.461 68 HB3 ARG 8 3HB ARG 8 3.957 -2.667 -14.994 69 HG2 ARG 8 2HG ARG 8 2.093 -3.513 -13.052 70 HG3 ARG 8 3HG ARG 8 2.989 -2.154 -12.369 71 HD2 ARG 8 2HD ARG 8 1.053 -1.329 -13.548 72 HD3 ARG 8 3HD ARG 8 2.514 -0.856 -14.414 73 HE ARG 8 HE ARG 8 1.704 -3.223 -15.558 74 HH11 ARG 8 1HH1 ARG 8 0.347 -0.053 -15.082 75 HH12 ARG 8 2HH1 ARG 8 -0.628 -0.112 -16.513 76 HH21 ARG 8 1HH2 ARG 8 0.425 -3.314 -17.445 77 HH22 ARG 8 2HH2 ARG 8 -0.584 -1.968 -17.856 78 H GLY 9 H GLY 9 6.033 -5.382 -12.755 79 HA2 GLY 9 2HA GLY 9 8.228 -4.875 -14.313 80 HA3 GLY 9 3HA GLY 9 8.139 -6.212 -13.176 81 H TRP 10 H TRP 10 6.279 -7.848 -14.355 82 HA TRP 10 HA TRP 10 7.465 -8.458 -16.981 83 HB2 TRP 10 2HB TRP 10 7.063 -10.912 -16.311 84 HB3 TRP 10 3HB TRP 10 8.437 -10.080 -15.589 85 HD1 TRP 10 HD1 TRP 10 5.443 -12.060 -14.679 86 HE1 TRP 10 HE1 TRP 10 5.088 -12.031 -12.130 87 HE3 TRP 10 HE3 TRP 10 8.687 -8.305 -13.450 88 HZ2 TRP 10 HZ2 TRP 10 6.054 -10.605 -9.894 89 HZ3 TRP 10 HZ3 TRP 10 8.912 -7.669 -11.083 90 HH2 TRP 10 HH2 TRP 10 7.622 -8.795 -9.344 91 H GLY 11 H GLY 11 5.472 -10.925 -16.313 92 HA2 GLY 11 2HA GLY 11 3.078 -9.534 -17.342 93 HA3 GLY 11 3HA GLY 11 3.640 -11.040 -18.053 94 H ARG 12 H ARG 12 2.445 -12.711 -17.465 95 HA ARG 12 HA ARG 12 1.459 -12.820 -14.691 96 HB2 ARG 12 2HB ARG 12 -0.468 -14.194 -15.773 97 HB3 ARG 12 3HB ARG 12 -0.514 -12.438 -15.846 98 HG2 ARG 12 2HG ARG 12 0.797 -13.837 -18.098 99 HG3 ARG 12 3HG ARG 12 -0.957 -13.988 -17.962 100 HD2 ARG 12 2HD ARG 12 -1.277 -11.666 -18.139 101 HD3 ARG 12 3HD ARG 12 0.424 -11.326 -17.822 102 HE ARG 12 HE ARG 12 0.858 -11.631 -20.046 103 HH11 ARG 12 1HH1 ARG 12 -2.256 -12.998 -19.301 104 HH12 ARG 12 2HH1 ARG 12 -2.656 -13.320 -20.955 105 HH21 ARG 12 1HH2 ARG 12 0.343 -12.051 -22.228 106 HH22 ARG 12 2HH2 ARG 12 -1.176 -12.782 -22.620 107 H LYS 13 H LYS 13 2.689 -14.540 -17.479 108 HA LYS 13 HA LYS 13 2.437 -17.170 -16.727 109 HB2 LYS 13 2HB LYS 13 4.798 -17.372 -17.871 110 HB3 LYS 13 3HB LYS 13 3.378 -16.943 -18.815 111 HG2 LYS 13 2HG LYS 13 3.984 -14.640 -18.823 112 HG3 LYS 13 3HG LYS 13 5.278 -14.920 -17.656 113 HD2 LYS 13 2HD LYS 13 6.598 -15.033 -19.471 114 HD3 LYS 13 3HD LYS 13 5.944 -16.664 -19.641 115 HE2 LYS 13 2HE LYS 13 4.101 -14.848 -20.809 116 HE3 LYS 13 3HE LYS 13 5.709 -14.455 -21.417 117 HZ1 LYS 13 1HZ LYS 13 5.986 -16.755 -22.084 118 HZ2 LYS 13 2HZ LYS 13 4.604 -16.098 -22.804 119 HZ3 LYS 13 3HZ LYS 13 4.453 -17.146 -21.485 120 H CYS 14 H CYS 14 4.450 -14.722 -15.334 121 HA CYS 14 HA CYS 14 6.135 -16.587 -13.910 122 HB2 CYS 14 2HB CYS 14 6.304 -13.872 -14.610 123 HB3 CYS 14 3HB CYS 14 6.202 -13.898 -12.854 124 HG CYS 14 HG CYS 14 8.428 -15.503 -12.483 125 HA PRO 15 HA PRO 15 3.376 -17.147 -10.505 126 HB2 PRO 15 2HB PRO 15 5.162 -18.231 -8.772 127 HB3 PRO 15 3HB PRO 15 4.488 -19.124 -10.140 128 HG2 PRO 15 2HG PRO 15 7.133 -17.744 -9.899 129 HG3 PRO 15 3HG PRO 15 6.757 -19.327 -10.604 130 HD2 PRO 15 2HD PRO 15 7.144 -17.114 -12.116 131 HD3 PRO 15 3HD PRO 15 6.027 -18.411 -12.589 132 H LEU 16 H LEU 16 6.491 -15.532 -10.095 133 HA LEU 16 HA LEU 16 6.521 -14.544 -7.620 134 HB2 LEU 16 2HB LEU 16 6.791 -12.396 -9.609 135 HB3 LEU 16 3HB LEU 16 7.917 -12.944 -8.369 136 HG LEU 16 HG LEU 16 7.470 -14.336 -11.007 137 HD11 LEU 16 1HD1 LEU 16 9.060 -12.014 -10.306 138 HD12 LEU 16 2HD1 LEU 16 8.681 -12.691 -11.889 139 HD13 LEU 16 3HD1 LEU 16 10.038 -13.328 -10.961 140 HD21 LEU 16 1HD2 LEU 16 8.379 -16.005 -9.785 141 HD22 LEU 16 2HD2 LEU 16 9.067 -14.905 -8.590 142 HD23 LEU 16 3HD2 LEU 16 9.877 -15.143 -10.139 143 H PHE 17 H PHE 17 4.622 -12.999 -10.215 144 HA PHE 17 HA PHE 17 2.798 -11.984 -8.139 145 HB2 PHE 17 2HB PHE 17 4.077 -10.523 -10.420 146 HB3 PHE 17 3HB PHE 17 2.483 -10.029 -9.861 147 HD1 PHE 17 HD1 PHE 17 5.590 -11.133 -8.113 148 HD2 PHE 17 HD2 PHE 17 2.627 -8.118 -8.606 149 HE1 PHE 17 HE1 PHE 17 6.634 -9.818 -6.315 150 HE2 PHE 17 HE2 PHE 17 3.667 -6.797 -6.810 151 HZ PHE 17 HZ PHE 17 5.674 -7.646 -5.662 152 H GLY 18 H GLY 18 2.909 -14.250 -10.258 153 HA2 GLY 18 2HA GLY 18 1.448 -15.297 -11.691 154 HA3 GLY 18 3HA GLY 18 0.207 -14.568 -10.682 Start of MODEL 20 1 H1 LYS 1 H LYS 1 1.013 1.733 -1.758 2 HA LYS 1 HA LYS 1 3.626 0.579 -1.763 3 HB2 LYS 1 2HB LYS 1 1.791 -0.021 0.450 4 HB3 LYS 1 3HB LYS 1 2.409 -1.449 -0.369 5 HG2 LYS 1 2HG LYS 1 4.720 -0.438 -0.062 6 HG3 LYS 1 3HG LYS 1 3.951 0.698 1.051 7 HD2 LYS 1 2HD LYS 1 3.840 -0.832 2.674 8 HD3 LYS 1 3HD LYS 1 3.178 -2.050 1.582 9 HE2 LYS 1 2HE LYS 1 5.335 -2.731 2.552 10 HE3 LYS 1 3HE LYS 1 5.400 -2.600 0.796 11 HZ1 LYS 1 1HZ LYS 1 6.138 -0.219 2.295 12 HZ2 LYS 1 2HZ LYS 1 6.816 -0.866 0.887 13 HZ3 LYS 1 3HZ LYS 1 7.213 -1.522 2.395 14 H ASN 2 H ASN 2 3.767 -1.213 -3.100 15 HA ASN 2 HA ASN 2 1.268 -1.954 -4.474 16 HB2 ASN 2 2HB ASN 2 3.087 -2.600 -6.321 17 HB3 ASN 2 3HB ASN 2 2.405 -0.981 -6.204 18 HD21 ASN 2 1HD2 ASN 2 4.050 0.253 -6.858 19 HD22 ASN 2 2HD2 ASN 2 5.612 0.293 -6.121 20 H LYS 3 H LYS 3 0.661 -3.873 -3.690 21 HA LYS 3 HA LYS 3 2.593 -5.855 -2.864 22 HB2 LYS 3 2HB LYS 3 -0.422 -6.022 -3.038 23 HB3 LYS 3 3HB LYS 3 0.627 -7.198 -2.256 24 HG2 LYS 3 2HG LYS 3 1.404 -5.055 -0.908 25 HG3 LYS 3 3HG LYS 3 -0.211 -4.501 -1.356 26 HD2 LYS 3 2HD LYS 3 -0.096 -7.255 -0.344 27 HD3 LYS 3 3HD LYS 3 0.362 -6.020 0.831 28 HE2 LYS 3 2HE LYS 3 -2.031 -5.379 -0.736 29 HE3 LYS 3 3HE LYS 3 -2.194 -6.804 0.288 30 HZ1 LYS 3 1HZ LYS 3 -1.583 -5.514 2.194 31 HZ2 LYS 3 2HZ LYS 3 -2.848 -4.722 1.398 32 HZ3 LYS 3 3HZ LYS 3 -1.262 -4.152 1.243 33 H SER 4 H SER 4 0.183 -5.503 -5.440 34 HA SER 4 HA SER 4 1.494 -7.734 -6.850 35 HB2 SER 4 2HB SER 4 -1.426 -6.941 -6.858 36 HB3 SER 4 3HB SER 4 -0.723 -8.129 -7.956 37 HG SER 4 HG SER 4 -1.717 -8.945 -5.950 38 H ARG 5 H ARG 5 0.413 -4.471 -6.943 39 HA ARG 5 HA ARG 5 0.172 -3.990 -9.667 40 HB2 ARG 5 2HB ARG 5 0.041 -2.451 -7.426 41 HB3 ARG 5 3HB ARG 5 1.550 -1.885 -8.130 42 HG2 ARG 5 2HG ARG 5 0.518 -0.840 -9.827 43 HG3 ARG 5 3HG ARG 5 -0.691 -2.112 -10.013 44 HD2 ARG 5 2HD ARG 5 -2.081 -1.206 -8.402 45 HD3 ARG 5 3HD ARG 5 -0.769 -0.327 -7.619 46 HE ARG 5 HE ARG 5 -0.917 0.870 -10.024 47 HH11 ARG 5 1HH1 ARG 5 -3.323 0.089 -7.632 48 HH12 ARG 5 2HH1 ARG 5 -4.344 1.431 -8.031 49 HH21 ARG 5 1HH2 ARG 5 -2.252 2.641 -10.558 50 HH22 ARG 5 2HH2 ARG 5 -3.733 2.882 -9.696 51 H VAL 6 H VAL 6 2.993 -4.605 -7.759 52 HA VAL 6 HA VAL 6 4.937 -3.471 -9.472 53 HB VAL 6 HB VAL 6 5.361 -5.860 -7.683 54 HG11 VAL 6 1HG1 VAL 6 7.635 -4.837 -7.469 55 HG12 VAL 6 2HG1 VAL 6 7.244 -5.425 -9.086 56 HG13 VAL 6 3HG1 VAL 6 7.176 -3.697 -8.734 57 HG21 VAL 6 1HG2 VAL 6 4.253 -4.218 -6.340 58 HG22 VAL 6 2HG2 VAL 6 5.969 -4.185 -5.933 59 HG23 VAL 6 3HG2 VAL 6 5.284 -2.932 -6.969 60 H ALA 7 H ALA 7 2.918 -6.145 -9.861 61 HA ALA 7 HA ALA 7 4.426 -8.047 -11.160 62 HB1 ALA 7 1HB ALA 7 1.676 -7.242 -12.073 63 HB2 ALA 7 2HB ALA 7 2.425 -8.838 -12.138 64 HB3 ALA 7 3HB ALA 7 1.968 -8.141 -10.584 65 H ARG 8 H ARG 8 3.599 -4.870 -12.221 66 HA ARG 8 HA ARG 8 3.657 -5.022 -14.958 67 HB2 ARG 8 2HB ARG 8 5.107 -2.874 -13.414 68 HB3 ARG 8 3HB ARG 8 4.332 -2.735 -14.987 69 HG2 ARG 8 2HG ARG 8 2.369 -3.597 -13.138 70 HG3 ARG 8 3HG ARG 8 3.240 -2.243 -12.415 71 HD2 ARG 8 2HD ARG 8 1.693 -1.068 -13.594 72 HD3 ARG 8 3HD ARG 8 2.915 -1.240 -14.853 73 HE ARG 8 HE ARG 8 1.282 -3.439 -15.100 74 HH11 ARG 8 1HH1 ARG 8 0.890 0.019 -15.218 75 HH12 ARG 8 2HH1 ARG 8 -0.440 -0.039 -16.326 76 HH21 ARG 8 1HH2 ARG 8 -0.469 -3.528 -16.559 77 HH22 ARG 8 2HH2 ARG 8 -1.213 -2.057 -17.087 78 H GLY 9 H GLY 9 6.266 -5.530 -12.733 79 HA2 GLY 9 2HA GLY 9 8.526 -5.024 -14.196 80 HA3 GLY 9 3HA GLY 9 8.375 -6.381 -13.089 81 H TRP 10 H TRP 10 6.543 -7.970 -14.366 82 HA TRP 10 HA TRP 10 7.817 -8.546 -16.959 83 HB2 TRP 10 2HB TRP 10 7.359 -11.007 -16.351 84 HB3 TRP 10 3HB TRP 10 8.716 -10.206 -15.563 85 HD1 TRP 10 HD1 TRP 10 5.674 -12.172 -14.801 86 HE1 TRP 10 HE1 TRP 10 5.221 -12.183 -12.267 87 HE3 TRP 10 HE3 TRP 10 8.898 -8.465 -13.384 88 HZ2 TRP 10 HZ2 TRP 10 6.112 -10.802 -9.972 89 HZ3 TRP 10 HZ3 TRP 10 9.037 -7.871 -11.000 90 HH2 TRP 10 HH2 TRP 10 7.671 -9.016 -9.331 91 H GLY 11 H GLY 11 5.770 -10.998 -16.413 92 HA2 GLY 11 2HA GLY 11 3.432 -9.557 -17.498 93 HA3 GLY 11 3HA GLY 11 4.003 -11.053 -18.224 94 H ARG 12 H ARG 12 2.766 -12.721 -17.721 95 HA ARG 12 HA ARG 12 1.677 -12.881 -14.988 96 HB2 ARG 12 2HB ARG 12 -0.219 -14.215 -16.171 97 HB3 ARG 12 3HB ARG 12 -0.247 -12.458 -16.212 98 HG2 ARG 12 2HG ARG 12 0.425 -12.380 -18.447 99 HG3 ARG 12 3HG ARG 12 0.988 -14.053 -18.427 100 HD2 ARG 12 2HD ARG 12 -1.142 -13.767 -19.644 101 HD3 ARG 12 3HD ARG 12 -1.278 -14.860 -18.267 102 HE ARG 12 HE ARG 12 -2.774 -13.414 -17.328 103 HH11 ARG 12 1HH1 ARG 12 -0.981 -11.731 -19.792 104 HH12 ARG 12 2HH1 ARG 12 -1.940 -10.292 -19.691 105 HH21 ARG 12 1HH2 ARG 12 -4.044 -11.525 -17.185 106 HH22 ARG 12 2HH2 ARG 12 -3.682 -10.175 -18.207 107 H LYS 13 H LYS 13 3.002 -14.554 -17.760 108 HA LYS 13 HA LYS 13 2.699 -17.197 -17.083 109 HB2 LYS 13 2HB LYS 13 5.111 -17.391 -18.120 110 HB3 LYS 13 3HB LYS 13 3.738 -16.930 -19.118 111 HG2 LYS 13 2HG LYS 13 4.359 -14.631 -19.043 112 HG3 LYS 13 3HG LYS 13 5.598 -14.949 -17.827 113 HD2 LYS 13 2HD LYS 13 7.022 -15.089 -19.547 114 HD3 LYS 13 3HD LYS 13 6.283 -16.660 -19.871 115 HE2 LYS 13 2HE LYS 13 4.566 -14.806 -21.040 116 HE3 LYS 13 3HE LYS 13 6.184 -14.214 -21.412 117 HZ1 LYS 13 1HZ LYS 13 6.007 -15.660 -23.104 118 HZ2 LYS 13 2HZ LYS 13 4.827 -16.602 -22.342 119 HZ3 LYS 13 3HZ LYS 13 6.459 -16.809 -21.946 120 H CYS 14 H CYS 14 4.675 -14.801 -15.546 121 HA CYS 14 HA CYS 14 6.266 -16.720 -14.085 122 HB2 CYS 14 2HB CYS 14 6.516 -14.001 -14.729 123 HB3 CYS 14 3HB CYS 14 6.323 -14.048 -12.981 124 HG CYS 14 HG CYS 14 8.973 -14.741 -14.798 125 HA PRO 15 HA PRO 15 3.357 -17.296 -10.812 126 HB2 PRO 15 2HB PRO 15 5.054 -18.417 -9.014 127 HB3 PRO 15 3HB PRO 15 4.436 -19.287 -10.423 128 HG2 PRO 15 2HG PRO 15 7.077 -17.932 -10.042 129 HG3 PRO 15 3HG PRO 15 6.723 -19.503 -10.784 130 HD2 PRO 15 2HD PRO 15 7.195 -17.274 -12.248 131 HD3 PRO 15 3HD PRO 15 6.092 -18.555 -12.788 132 H LEU 16 H LEU 16 6.471 -15.732 -10.219 133 HA LEU 16 HA LEU 16 6.382 -14.771 -7.736 134 HB2 LEU 16 2HB LEU 16 6.789 -12.603 -9.678 135 HB3 LEU 16 3HB LEU 16 7.841 -13.186 -8.390 136 HG LEU 16 HG LEU 16 7.508 -14.539 -11.066 137 HD11 LEU 16 1HD1 LEU 16 9.100 -12.249 -10.254 138 HD12 LEU 16 2HD1 LEU 16 8.771 -12.888 -11.864 139 HD13 LEU 16 3HD1 LEU 16 10.080 -13.567 -10.896 140 HD21 LEU 16 1HD2 LEU 16 8.337 -16.231 -9.819 141 HD22 LEU 16 2HD2 LEU 16 8.979 -15.153 -8.580 142 HD23 LEU 16 3HD2 LEU 16 9.860 -15.385 -10.091 143 H PHE 17 H PHE 17 4.658 -13.153 -10.408 144 HA PHE 17 HA PHE 17 2.726 -12.154 -8.425 145 HB2 PHE 17 2HB PHE 17 4.166 -10.657 -10.585 146 HB3 PHE 17 3HB PHE 17 2.551 -10.147 -10.103 147 HD1 PHE 17 HD1 PHE 17 2.637 -8.289 -8.770 148 HD2 PHE 17 HD2 PHE 17 5.552 -11.344 -8.232 149 HE1 PHE 17 HE1 PHE 17 3.595 -7.037 -6.881 150 HE2 PHE 17 HE2 PHE 17 6.514 -10.098 -6.341 151 HZ PHE 17 HZ PHE 17 5.535 -7.942 -5.663 152 H GLY 18 H GLY 18 2.922 -14.375 -10.573 153 HA2 GLY 18 2HA GLY 18 1.073 -13.800 -12.615 154 HA3 GLY 18 3HA GLY 18 1.493 -15.407 -12.041
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